[1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene

C22H30O2 — CID 143461761

IUPAC[1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene
SMILESC=C(/C=C\C(OC)=C(/C)OC)CC1(c2ccccc2)CCCCC1
InChIInChI=1S/C22H30O2/c1-18(13-14-21(24-4)19(2)23-3)17-22(15-9-6-10-16-22)20-11-7-5-8-12-20/h5,7-8,11-14H,1,6,9-10,15-17H2,2-4H3/b14-13-,21-19-
InChIKeyHGYAYPRRKRJQFV-PAIRNYBASA-N
MW326.48 g/mol
LogP5.92
Rot. Bonds7

About [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene

[1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene (PubChem CID 143461761) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene.

Molecular Properties

Compound Name[1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene
PubChem CID143461761
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name[1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene
SMILESC=C(/C=C\C(OC)=C(/C)OC)CC1(c2ccccc2)CCCCC1
InChIInChI=1S/C22H30O2/c1-18(13-14-21(24-4)19(2)23-3)17-22(15-9-6-10-16-22)20-11-7-5-8-12-20/h5,7-8,11-14H,1,6,9-10,15-17H2,2-4H3/b14-13-,21-19-
InChIKeyHGYAYPRRKRJQFV-PAIRNYBASA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene
CID 146167664
2-oxo-3-(1-phenylcyclohexyl)propanoic acid
CID 18551192
1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene
CID 58993631
methyl (E)-2-[[1-amino-2-(1-phenylcyclopentyl)ethylidene]amino]-3-hydroxy-4-oxobut-2-enoate
CID 144568014
1-[1-[(2Z,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]cyclohexyl]-3-fluorobenzene
CID 143461684
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine
CID 142271265
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
[1-(iodomethyl)cyclopentyl]benzene
CID 19966123
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
N-(2-aminophenyl)-2-(1-phenylcyclohexyl)acetamide
CID 18449743

Frequently Asked Questions

What is the IUPAC name of [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene?
The IUPAC name of [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene (CID 143461761) is [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene.
What is the SMILES notation for [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene?
The canonical SMILES for [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene is C=C(/C=C\C(OC)=C(/C)OC)CC1(c2ccccc2)CCCCC1.
What is the InChIKey of [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene?
The InChIKey is HGYAYPRRKRJQFV-PAIRNYBASA-N. The full InChI is InChI=1S/C22H30O2/c1-18(13-14-21(24-4)19(2)23-3)17-22(15-9-6-10-16-22)20-11-7-5-8-12-20/h5,7-8,11-14H,1,6,9-10,15-17H2,2-4H3/b14-13-,21-19-.
What are the key properties of [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene?
[1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene has a molecular weight of 326.48 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]cyclohexyl]benzene is sourced from PubChem (CID 143461761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).