3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole

C206H236N2O3S — CID 159055548

About 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole

3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole (PubChem CID 159055548) has the molecular formula C206H236N2O3S and a molecular weight of 2820.23 g/mol. Its IUPAC name is 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole.

Molecular Properties

• Compound Name: 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole
• PubChem CID: 159055548
• Molecular Formula: C206H236N2O3S
• Molecular Weight: 2820.23 g/mol
• Exact Mass: 2817.81
• IUPAC Name: 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole
• SMILES: C=C(C(=C)c1ccc[nH]1)c1ccc[nH]1.C=C(C(=C)c1cccc2ccccc12)c1cccc2ccccc12.C=C(C(=C)c1ccccc1)c1ccccc1.C=C(C(=C)c1ccco1)c1ccco1.C=C1C(=C)C2CCC1C2(C)C.C=C1C2CC3CC1CC(C2)C3=C.C=C1CC2(C)CC(=C)CC2(C)C1.C=C1CCC(=C)C1.C=C1CCC(=C)CC1.C=C1CCC(C(C)(C)C2CCC(=C)CC2)CC1.C=C1CCC(CC2CCC(=C)CC2)CC1.C=CC.C=CC.C=CC1=C2C=CC=CC2C(C=C)c2ccccc21.C=Cc1ccc(C=C)c2ccccc12.C=Cc1ccc(C=C)cc1.O=S1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C24H18.C18H16.C17H28.C16H14.C15H24.C14H12.C12H12N2.C12H10O2.C12H8OS.C12H16.C12H18.C11H16.C10H10.C8H12.C7H10.2C3H6/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)18(2)22-16-8-12-20-10-4-6-14-24(20)22;1-3-13-15-9-5-7-11-17(15)14(4-2)18-12-8-6-10-16(13)18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14;2*1-9(11-5-3-7-13-11)10(2)12-6-4-8-14-12;13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-7-9-3-11-5-10(7)6-12(4-9)8(11)2;1-9-5-11(3)7-10(2)8-12(11,4)6-9;1-7-8(2)10-6-5-9(7)11(10,3)4;1-3-9-5-7-10(4-2)8-6-9;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;2*1-3-2/h3-16H,1-2H2;3-13,15H,1-2H2;15-16H,1-2,5-12H2,3-4H3;3-12H,1-2H2;14-15H,1-11H2;3-10H,1-2H2;3-8,13-14H,1-2H2;3-8H,1-2H2;1-8H;9-12H,1-6H2;1-2,5-8H2,3-4H3;9-10H,1-2,5-6H2,3-4H3;3-8H,1-2H2;1-6H2;1-5H2;2*3H,1H2,2H3
• InChIKey: JXUSBCNBZVRNND-UHFFFAOYSA-N
• XLogP: 60.13
• TPSA: 74.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 22
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2820.23
LogP ≤ 5	60.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole?

The IUPAC name of 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole (CID 159055548) is 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole.

What is the SMILES notation for 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole?

The canonical SMILES for 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole is C=C(C(=C)c1ccc[nH]1)c1ccc[nH]1.C=C(C(=C)c1cccc2ccccc12)c1cccc2ccccc12.C=C(C(=C)c1ccccc1)c1ccccc1.C=C(C(=C)c1ccco1)c1ccco1.C=C1C(=C)C2CCC1C2(C)C.C=C1C2CC3CC1CC(C2)C3=C.C=C1CC2(C)CC(=C)CC2(C)C1.C=C1CCC(=C)C1.C=C1CCC(=C)CC1.C=C1CCC(C(C)(C)C2CCC(=C)CC2)CC1.C=C1CCC(CC2CCC(=C)CC2)CC1.C=CC.C=CC.C=CC1=C2C=CC=CC2C(C=C)c2ccccc21.C=Cc1ccc(C=C)c2ccccc12.C=Cc1ccc(C=C)cc1.O=S1c2ccccc2-c2ccccc21.

What is the InChIKey of 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole?

The InChIKey is JXUSBCNBZVRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18.C18H16.C17H28.C16H14.C15H24.C14H12.C12H12N2.C12H10O2.C12H8OS.C12H16.C12H18.C11H16.C10H10.C8H12.C7H10.2C3H6/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)18(2)22-16-8-12-20-10-4-6-14-24(20)22;1-3-13-15-9-5-7-11-17(15)14(4-2)18-12-8-6-10-16(13)18;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14;2*1-9(11-5-3-7-13-11)10(2)12-6-4-8-14-12;13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;1-7-9-3-11-5-10(7)6-12(4-9)8(11)2;1-9-5-11(3)7-10(2)8-12(11,4)6-9;1-7-8(2)10-6-5-9(7)11(10,3)4;1-3-9-5-7-10(4-2)8-6-9;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;2*1-3-2/h3-16H,1-2H2;3-13,15H,1-2H2;15-16H,1-2,5-12H2,3-4H3;3-12H,1-2H2;14-15H,1-11H2;3-10H,1-2H2;3-8,13-14H,1-2H2;3-8H,1-2H2;1-8H;9-12H,1-6H2;1-2,5-8H2,3-4H3;9-10H,1-2,5-6H2,3-4H3;3-8H,1-2H2;1-6H2;1-5H2;2*3H,1H2,2H3.

What are the key properties of 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole?

3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole has a molecular weight of 2820.23 g/mol, XLogP of 60.13, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene;9,10-bis(ethenyl)-4a,10-dihydroanthracene;1,4-bis(ethenyl)benzene;1,4-bis(ethenyl)naphthalene;dibenzothiophene 5-oxide;7,7-dimethyl-2,3-dimethylidenebicyclo[2.2.1]heptane;2,6-dimethylideneadamantane;1,4-dimethylidenecyclohexane;1,3-dimethylidenecyclopentane;2-[3-(furan-2-yl)buta-1,3-dien-2-yl]furan;1-methylidene-4-[(4-methylidenecyclohexyl)methyl]cyclohexane;1-methylidene-4-[2-(4-methylidenecyclohexyl)propan-2-yl]cyclohexane;1-(3-naphthalen-1-ylbuta-1,3-dien-2-yl)naphthalene;3-phenylbuta-1,3-dien-2-ylbenzene;bis(prop-1-ene);2-[3-(1H-pyrrol-2-yl)buta-1,3-dien-2-yl]-1H-pyrrole is sourced from PubChem (CID 159055548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).