11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one

C32H56O — CID 18633703

IUPAC11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one
SMILESCCCCCCCC1CCC(C2CCC3(CC2)CC2(CCC(CCCCC)CC2)C3=O)CC1
InChIInChI=1S/C32H56O/c1-3-5-7-8-10-12-26-13-15-28(16-14-26)29-19-23-32(24-20-29)25-31(30(32)33)21-17-27(18-22-31)11-9-6-4-2/h26-29H,3-25H2,1-2H3
InChIKeyWRIFEEFQQHXANM-UHFFFAOYSA-N
MW456.80 g/mol
LogP10.06
Rot. Bonds11

About 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one

11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one (PubChem CID 18633703) has the molecular formula C32H56O and a molecular weight of 456.80 g/mol. Its IUPAC name is 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one.

Molecular Properties

Compound Name11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one
PubChem CID18633703
Molecular FormulaC32H56O
Molecular Weight456.80 g/mol
Exact Mass456.43
IUPAC Name11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one
SMILESCCCCCCCC1CCC(C2CCC3(CC2)CC2(CCC(CCCCC)CC2)C3=O)CC1
InChIInChI=1S/C32H56O/c1-3-5-7-8-10-12-26-13-15-28(16-14-26)29-19-23-32(24-20-29)25-31(30(32)33)21-17-27(18-22-31)11-9-6-4-2/h26-29H,3-25H2,1-2H3
InChIKeyWRIFEEFQQHXANM-UHFFFAOYSA-N
XLogP10.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.80
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one 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

3,11-bis(4-decylcyclohexyl)-7-fluorodispiro[5.1.58.16]tetradecan-14-one
CID 18633493
7-fluoro-3,11-bis(4-heptylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one;7-fluoro-3,11-bis(4-hexylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one
CID 161175913
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one
CID 18633720
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
(7R)-3-butyl-11-(4-butylcyclohexyl)-7-fluorodispiro[5.1.58.16]tetradecan-14-one
CID 18633669
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
3,11-bis(4-butylcyclohexyl)-14,14-dichlorodispiro[5.1.58.16]tetradecan-7-one
CID 18633481
3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one
CID 18633795
3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633672

Frequently Asked Questions

What is the IUPAC name of 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one?
The IUPAC name of 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one (CID 18633703) is 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one.
What is the SMILES notation for 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one?
The canonical SMILES for 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one is CCCCCCCC1CCC(C2CCC3(CC2)CC2(CCC(CCCCC)CC2)C3=O)CC1.
What is the InChIKey of 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one?
The InChIKey is WRIFEEFQQHXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O/c1-3-5-7-8-10-12-26-13-15-28(16-14-26)29-19-23-32(24-20-29)25-31(30(32)33)21-17-27(18-22-31)11-9-6-4-2/h26-29H,3-25H2,1-2H3.
What are the key properties of 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one?
11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one has a molecular weight of 456.80 g/mol, XLogP of 10.06, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one is sourced from PubChem (CID 18633703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).