(E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal

C23H34O — CID 144725591

IUPAC(E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal
SMILESCC1CCC(C2CCC(C3=CC(C)C(/C=C/C=O)C=C3)CC2)CC1
InChIInChI=1S/C23H34O/c1-17-5-7-20(8-6-17)21-10-12-22(13-11-21)23-14-9-19(4-3-15-24)18(2)16-23/h3-4,9,14-22H,5-8,10-13H2,1-2H3/b4-3+
InChIKeyVNTMYCKUWKTWFA-ONEGZZNKSA-N
MW326.52 g/mol
LogP6.12
Rot. Bonds4

About (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal

(E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal (PubChem CID 144725591) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal
PubChem CID144725591
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name(E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal
SMILESCC1CCC(C2CCC(C3=CC(C)C(/C=C/C=O)C=C3)CC2)CC1
InChIInChI=1S/C23H34O/c1-17-5-7-20(8-6-17)21-10-12-22(13-11-21)23-14-9-19(4-3-15-24)18(2)16-23/h3-4,9,14-22H,5-8,10-13H2,1-2H3/b4-3+
InChIKeyVNTMYCKUWKTWFA-ONEGZZNKSA-N
XLogP6.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal with MolForge

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Related Compounds

(E)-3-(4-methylcyclohexyl)prop-2-enal
CID 79331612
6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 142209321
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
2-(4-decylcyclohexyl)-5-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 139627529
2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene
CID 123385181
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
3-[4-(4-methylcyclohexyl)cyclohexyl]propanal
CID 172757928
1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 147765310
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
(5R)-5-methylcyclohexene-1-carbaldehyde
CID 54558151
1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]benzene
CID 23197854

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal?
The IUPAC name of (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal (CID 144725591) is (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal?
The canonical SMILES for (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal is CC1CCC(C2CCC(C3=CC(C)C(/C=C/C=O)C=C3)CC2)CC1.
What is the InChIKey of (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal?
The InChIKey is VNTMYCKUWKTWFA-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H34O/c1-17-5-7-20(8-6-17)21-10-12-22(13-11-21)23-14-9-19(4-3-15-24)18(2)16-23/h3-4,9,14-22H,5-8,10-13H2,1-2H3/b4-3+.
What are the key properties of (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal?
(E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal has a molecular weight of 326.52 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal is sourced from PubChem (CID 144725591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).