1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane

C19H32 — CID 20714863

IUPAC1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESC/C=C/C=C/CC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C19H32/c1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18/h3-6,16-19H,7-15H2,1-2H3/b4-3+,6-5+
InChIKeyQPAIFXWCVZGHPD-VNKDHWASSA-N
MW260.46 g/mol
LogP6.14
Rot. Bonds4

About 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane

1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 20714863) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane
PubChem CID20714863
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESC/C=C/C=C/CC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C19H32/c1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18/h3-6,16-19H,7-15H2,1-2H3/b4-3+,6-5+
InChIKeyQPAIFXWCVZGHPD-VNKDHWASSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane
CID 59927394
1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 125478979
2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22983403
1-but-2-enyl-4-(4-butoxycyclohexyl)cyclohexane
CID 57032891
1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane
CID 67864622
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-[4-[(1E,5E)-hepta-1,5-dienyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 59927398
methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
CID 158715477

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane (CID 20714863) is 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane is C/C=C/C=C/CC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is QPAIFXWCVZGHPD-VNKDHWASSA-N. The full InChI is InChI=1S/C19H32/c1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18/h3-6,16-19H,7-15H2,1-2H3/b4-3+,6-5+.
What are the key properties of 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane?
1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 260.46 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 20714863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).