1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane

C22H38O — CID 54380791

IUPAC1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCC=CC=CCOC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C22H38O/c1-3-5-6-7-8-18-23-22-16-14-21(15-17-22)20-12-10-19(9-4-2)11-13-20/h5-8,19-22H,3-4,9-18H2,1-2H3
InChIKeyUZTBVUJGFQCHKJ-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.69
Rot. Bonds8

About 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane

1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 54380791) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
PubChem CID54380791
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCC=CC=CCOC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C22H38O/c1-3-5-6-7-8-18-23-22-16-14-21(15-17-22)20-12-10-19(9-4-2)11-13-20/h5-8,19-22H,3-4,9-18H2,1-2H3
InChIKeyUZTBVUJGFQCHKJ-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)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-heptyl-4-[4-[(2E,4E)-octa-2,4-dienoxy]cyclohexyl]cyclohexane
CID 18689101
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
1-[(E)-hex-3-enyl]-4-(4-pentoxycyclohexyl)cyclohexane
CID 67805707
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113
1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane
CID 67864187
1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 15376156
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
bis[4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 70479427
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676

Frequently Asked Questions

What is the IUPAC name of 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane (CID 54380791) is 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane is CCC=CC=CCOC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is UZTBVUJGFQCHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-3-5-6-7-8-18-23-22-16-14-21(15-17-22)20-12-10-19(9-4-2)11-13-20/h5-8,19-22H,3-4,9-18H2,1-2H3.
What are the key properties of 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane?
1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 318.55 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 54380791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).