1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane

C87H156N2 — CID 158127521

IUPAC1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane
SMILESC.C=C1C=CC(C)=C(C)C1.C=C1C=NC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCCC(C)=C1C.C=C1N=CCC(C)=C1C.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/4C9H14.C9H12.C9H14.2C8H11N.8C2H6.CH4/c5*1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)8(3)9-5-6;1-6-4-5-9-8(3)7(6)2;8*1-2;/h4*1,4-6H2,2-3H3;4-5H,1,6H2,2-3H3;1,4-6H2,2-3H3;5H,1,4H2,2-3H3;5H,3-4H2,1-2H3;8*1-2H3;1H4
InChIKeyFSJDSUXULNADLY-UHFFFAOYSA-N
MW1230.22 g/mol
LogP31.62
Rot. Bonds

About 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane

1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane (PubChem CID 158127521) has the molecular formula C87H156N2 and a molecular weight of 1230.22 g/mol. Its IUPAC name is 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane.

Molecular Properties

Compound Name1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane
PubChem CID158127521
Molecular FormulaC87H156N2
Molecular Weight1230.22 g/mol
Exact Mass1229.23
IUPAC Name1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane
SMILESC.C=C1C=CC(C)=C(C)C1.C=C1C=NC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCCC(C)=C1C.C=C1N=CCC(C)=C1C.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/4C9H14.C9H12.C9H14.2C8H11N.8C2H6.CH4/c5*1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)8(3)9-5-6;1-6-4-5-9-8(3)7(6)2;8*1-2;/h4*1,4-6H2,2-3H3;4-5H,1,6H2,2-3H3;1,4-6H2,2-3H3;5H,1,4H2,2-3H3;5H,3-4H2,1-2H3;8*1-2H3;1H4
InChIKeyFSJDSUXULNADLY-UHFFFAOYSA-N
XLogP31.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.22
LogP ≤ 531.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane with MolForge

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Related Compounds

(Z)-N-[(8Z)-9-(2-methylcyclohexen-1-yl)-3,6-dimethylidenenona-1,8-dien-2-yl]pent-2-en-1-imine
CID 139563409
8,15,31,34-Tetrazanonacyclo[20.8.4.22,5.218,21.16,10.113,17.09,14.025,33.028,32]tetraconta-1,3,5,7,9(14),10(38),11,13(37),15,17,19,21,23,25,27,29,31,33,35,39-icosaene
CID 153310592
(3Z,5Z)-N-[(2E,4E,6Z)-2-[(6E)-6-[(E)-2-(10-azabicyclo[7.4.1]tetradeca-1(13),9(14),10-trien-13-yl)but-2-enylidene]-5-methylidene-2-pyridinyl]-4,8-dimethylnona-2,4,6,8-tetraen-3-yl]hepta-3,5-dien-2-imine
CID 156403878
cyclohexane;ethane;methylidenecyclohexane;3-methylidenecyclohexene;2-methylidene-4,5-dihydro-3H-pyridine;5-methylidene-3,4-dihydro-2H-pyridine;2-methylidene-3,4-dihydropyrrole;4-methylidene-2,3-dihydropyrrole;2H-pyrrole
CID 162145557
(2E,4E)-N-[5-[(Z)-but-2-enyl]-2-methylcyclohexa-1,5-dien-1-yl]-3-butyl-4-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]hepta-2,5-dien-1-imine
CID 169853771
N-[4-(1-cyclohexa-1,5-dien-1-ylethenylimino)-2-methylpent-2-en-3-yl]heptan-1-imine
CID 170199714
20,27,48,55-Tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene
CID 101219725

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane?
The IUPAC name of 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane (CID 158127521) is 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane.
What is the SMILES notation for 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane?
The canonical SMILES for 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane is C.C=C1C=CC(C)=C(C)C1.C=C1C=NC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCC(C)=C(C)C1.C=C1CCCC(C)=C1C.C=C1N=CCC(C)=C1C.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane?
The InChIKey is FSJDSUXULNADLY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H14.C9H12.C9H14.2C8H11N.8C2H6.CH4/c5*1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-6-4-7(2)8(3)9-5-6;1-6-4-5-9-8(3)7(6)2;8*1-2;/h4*1,4-6H2,2-3H3;4-5H,1,6H2,2-3H3;1,4-6H2,2-3H3;5H,1,4H2,2-3H3;5H,3-4H2,1-2H3;8*1-2H3;1H4.
What are the key properties of 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane?
1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane has a molecular weight of 1230.22 g/mol, XLogP of 31.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-methylidenecyclohexa-1,3-diene;1,2-dimethyl-3-methylidenecyclohexene;tetrakis(1,2-dimethyl-4-methylidenecyclohexene);2,3-dimethyl-5-methylidene-4H-pyridine;4,5-dimethyl-6-methylidene-3H-pyridine;ethane;methane is sourced from PubChem (CID 158127521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).