5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene

C30H48 — CID 91264175

IUPAC5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESC=C1C(C)CC(=CC=C2CCCC3(C)C2CCCC3C(C)C=CCC(C)C)CC1C
InChIInChI=1S/C30H48/c1-21(2)11-8-12-22(3)28-14-9-15-29-27(13-10-18-30(28,29)7)17-16-26-19-23(4)25(6)24(5)20-26/h8,12,16-17,21-24,28-29H,6,9-11,13-15,18-20H2,1-5,7H3
InChIKeyZZYAEYMQHRMCFN-UHFFFAOYSA-N
MW408.71 g/mol
LogP9.31
Rot. Bonds5

About 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene

5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene (PubChem CID 91264175) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
PubChem CID91264175
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESC=C1C(C)CC(=CC=C2CCCC3(C)C2CCCC3C(C)C=CCC(C)C)CC1C
InChIInChI=1S/C30H48/c1-21(2)11-8-12-22(3)28-14-9-15-29-27(13-10-18-30(28,29)7)17-16-26-19-23(4)25(6)24(5)20-26/h8,12,16-17,21-24,28-29H,6,9-11,13-15,18-20H2,1-5,7H3
InChIKeyZZYAEYMQHRMCFN-UHFFFAOYSA-N
XLogP9.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene with MolForge

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Related Compounds

trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2S,6R)-6-hydroxyhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 90828486
(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
ethane;(4E)-1-[(E)-hept-3-en-2-yl]-7a-methyl-4-[(2Z)-2-(3-methyl-4-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143651881
trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 123169329
(4E)-1-(6,6-dimethylheptan-2-yl)-4-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 21337516
(4E,7aR)-1-[(2R)-6,6-dimethylheptan-2-yl]-4-[2-[(3R,5R)-3,5-dimethyl-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 59099443
trans-(1R,3R)-5-[(2E)-2-[1-[(E,2R)-6-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CID 10363769
trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,6R)-7-(1-adamantyl)-6-hydroxyhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 102080224
(4E,7aR)-7a-methyl-1-[(E)-6-methylhept-3-en-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;ethane;methoxy thiohypoiodite
CID 143929073
trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CID 172896166
trans-(1R,3R,5E)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(2R,3R)-3,6,6-trimethylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-2-methylidenecyclohexan-1-ol
CID 130348682
trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 123892950

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The IUPAC name of 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene (CID 91264175) is 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene.
What is the SMILES notation for 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The canonical SMILES for 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene is C=C1C(C)CC(=CC=C2CCCC3(C)C2CCCC3C(C)C=CCC(C)C)CC1C.
What is the InChIKey of 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The InChIKey is ZZYAEYMQHRMCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48/c1-21(2)11-8-12-22(3)28-14-9-15-29-27(13-10-18-30(28,29)7)17-16-26-19-23(4)25(6)24(5)20-26/h8,12,16-17,21-24,28-29H,6,9-11,13-15,18-20H2,1-5,7H3.
What are the key properties of 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene has a molecular weight of 408.71 g/mol, XLogP of 9.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-8a-methyl-1-(6-methylhept-3-en-2-yl)-1,2,3,4,4a,6,7,8-octahydronaphthalene is sourced from PubChem (CID 91264175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).