7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene

C23H38 — CID 123643903

IUPAC7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESC=CC=C1CCCC2(C)C1CCC2C(C=C)CCCC(C)CC
InChIInChI=1S/C23H38/c1-6-11-20-14-10-17-23(5)21(15-16-22(20)23)19(8-3)13-9-12-18(4)7-2/h6,8,11,18-19,21-22H,1,3,7,9-10,12-17H2,2,4-5H3
InChIKeyOKHMPGDZZBBPML-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.33
Rot. Bonds8

About 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene

7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene (PubChem CID 123643903) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene.

Molecular Properties

Compound Name7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene
PubChem CID123643903
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESC=CC=C1CCCC2(C)C1CCC2C(C=C)CCCC(C)CC
InChIInChI=1S/C23H38/c1-6-11-20-14-10-17-23(5)21(15-16-22(20)23)19(8-3)13-9-12-18(4)7-2/h6,8,11,18-19,21-22H,1,3,7,9-10,12-17H2,2,4-5H3
InChIKeyOKHMPGDZZBBPML-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethylidene-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 72511490
(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 24779628
(1R,3aR,4Z,7aR)-4-(bromomethylidene)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 177463192
(6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol
CID 143290315
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-7-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 6441773
(1S,3Z)-3-[(2E)-2-[(1R,7aR)-1-[(2R)-6-ethyloctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 155271188
(4E)-4-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 20751368
(6R)-6-[(4E,7aR)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol
CID 143290297
(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;molecular hydrogen
CID 153373254
(4E)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 142233136
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-7-sulfanylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 140975623
cis-(1S,3S)-5-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 171156750

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene?
The IUPAC name of 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene (CID 123643903) is 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene.
What is the SMILES notation for 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene?
The canonical SMILES for 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene is C=CC=C1CCCC2(C)C1CCC2C(C=C)CCCC(C)CC.
What is the InChIKey of 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene?
The InChIKey is OKHMPGDZZBBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-6-11-20-14-10-17-23(5)21(15-16-22(20)23)19(8-3)13-9-12-18(4)7-2/h6,8,11,18-19,21-22H,1,3,7,9-10,12-17H2,2,4-5H3.
What are the key properties of 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene?
7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene has a molecular weight of 314.56 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1-(7-methylnon-1-en-3-yl)-4-prop-2-enylidene-2,3,3a,5,6,7-hexahydro-1H-indene is sourced from PubChem (CID 123643903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).