hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)

C258H530 — CID 162271358

IUPAChexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
SMILESC.C1CCC(CC2CCCC2)C1.C1CCC(CC2CCCC2)C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C=C.C=C(C)C.C=CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CCC
InChIInChI=1S/2C19H36.2C11H20.2C10H20.6C9H16.8C5H10.13C5H12.C4H10.C4H8.C3H8.C3H6.C2H6.C2H4.CH4/c2*1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-2-6-10(5-1)9-11-7-3-4-8-11;2*1-6-7(2)9(4)10(5)8(6)3;6*1-2-5-9-7-3-6-8(9)4-1;8*1-2-4-5-3-1;13*1-5(2,3)4;2*1-4(2)3;2*1-3-2;2*1-2;/h2*10-19H,9H2,1-8H3;2*10-11H,1-9H2;2*6-10H,1-5H3;6*8-9H,1-7H2;8*1-5H2;13*1-4H3;4H,1-3H3;1H2,2-3H3;3H2,1-2H3;3H,1H2,2H3;1-2H3;1-2H2;1H4
InChIKeyJIFIWRANVIRRPI-UHFFFAOYSA-N
MW3633.08 g/mol
LogP93.79
Rot. Bonds8

About hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)

hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) (PubChem CID 162271358) has the molecular formula C258H530 and a molecular weight of 3633.08 g/mol. Its IUPAC name is hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane).

Molecular Properties

Compound Namehexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
PubChem CID162271358
Molecular FormulaC258H530
Molecular Weight3633.08 g/mol
Exact Mass3630.15
IUPAC Namehexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
SMILESC.C1CCC(CC2CCCC2)C1.C1CCC(CC2CCCC2)C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C=C.C=C(C)C.C=CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CCC
InChIInChI=1S/2C19H36.2C11H20.2C10H20.6C9H16.8C5H10.13C5H12.C4H10.C4H8.C3H8.C3H6.C2H6.C2H4.CH4/c2*1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-2-6-10(5-1)9-11-7-3-4-8-11;2*1-6-7(2)9(4)10(5)8(6)3;6*1-2-5-9-7-3-6-8(9)4-1;8*1-2-4-5-3-1;13*1-5(2,3)4;2*1-4(2)3;2*1-3-2;2*1-2;/h2*10-19H,9H2,1-8H3;2*10-11H,1-9H2;2*6-10H,1-5H3;6*8-9H,1-7H2;8*1-5H2;13*1-4H3;4H,1-3H3;1H2,2-3H3;3H2,1-2H3;3H,1H2,2H3;1-2H3;1-2H2;1H4
InChIKeyJIFIWRANVIRRPI-UHFFFAOYSA-N
XLogP93.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms258
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003633.08
LogP ≤ 593.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)?
The IUPAC name of hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) (CID 162271358) is hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane).
What is the SMILES notation for hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)?
The canonical SMILES for hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) is C.C1CCC(CC2CCCC2)C1.C1CCC(CC2CCCC2)C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C=C.C=C(C)C.C=CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CC1C(C)C(C)C(CC2C(C)C(C)C(C)C2C)C1C.CCC.
What is the InChIKey of hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)?
The InChIKey is JIFIWRANVIRRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H36.2C11H20.2C10H20.6C9H16.8C5H10.13C5H12.C4H10.C4H8.C3H8.C3H6.C2H6.C2H4.CH4/c2*1-10-11(2)15(6)18(14(10)5)9-19-16(7)12(3)13(4)17(19)8;2*1-2-6-10(5-1)9-11-7-3-4-8-11;2*1-6-7(2)9(4)10(5)8(6)3;6*1-2-5-9-7-3-6-8(9)4-1;8*1-2-4-5-3-1;13*1-5(2,3)4;2*1-4(2)3;2*1-3-2;2*1-2;/h2*10-19H,9H2,1-8H3;2*10-11H,1-9H2;2*6-10H,1-5H3;6*8-9H,1-7H2;8*1-5H2;13*1-4H3;4H,1-3H3;1H2,2-3H3;3H2,1-2H3;3H,1H2,2H3;1-2H3;1-2H2;1H4.
What are the key properties of hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)?
hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) has a molecular weight of 3633.08 g/mol, XLogP of 93.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);octakis(cyclopentane);bis(cyclopentylmethylcyclopentane);tridecakis(2,2-dimethylpropane);ethane;ethene;methane;2-methylpropane;2-methylprop-1-ene;bis(1,2,3,4,5-pentamethylcyclopentane);propane;prop-1-ene;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane) is sourced from PubChem (CID 162271358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).