1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one

C28H42O2 — CID 101058020

IUPAC1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
SMILESCCCCC(=O)C1CCC(c2ccc(C3CCC(C(=O)CCCC)CC3)cc2)CC1
InChIInChI=1S/C28H42O2/c1-3-5-7-27(29)25-17-13-23(14-18-25)21-9-11-22(12-10-21)24-15-19-26(20-16-24)28(30)8-6-4-2/h9-12,23-26H,3-8,13-20H2,1-2H3
InChIKeyTZDYISLRJCEVSS-UHFFFAOYSA-N
MW410.64 g/mol
LogP7.75
Rot. Bonds10

About 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one

1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one (PubChem CID 101058020) has the molecular formula C28H42O2 and a molecular weight of 410.64 g/mol. Its IUPAC name is 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
PubChem CID101058020
Molecular FormulaC28H42O2
Molecular Weight410.64 g/mol
Exact Mass410.32
IUPAC Name1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
SMILESCCCCC(=O)C1CCC(c2ccc(C3CCC(C(=O)CCCC)CC3)cc2)CC1
InChIInChI=1S/C28H42O2/c1-3-5-7-27(29)25-17-13-23(14-18-25)21-9-11-22(12-10-21)24-15-19-26(20-16-24)28(30)8-6-4-2/h9-12,23-26H,3-8,13-20H2,1-2H3
InChIKeyTZDYISLRJCEVSS-UHFFFAOYSA-N
XLogP7.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one with MolForge

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Related Compounds

1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one
CID 3104712
1-[4-(4-butanoylphenyl)cyclohexyl]hexan-1-one
CID 70444169
1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
CID 118147206
1-(4-methylcyclohexyl)pentan-1-one
CID 62621945
1,9-bis[4-(4-propanoylcyclohexyl)phenyl]nonan-5-one
CID 70444310
1,7-bis[4-(4-propanoylcyclohexyl)phenyl]heptan-4-one
CID 70445056
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
1-[4-[4-(4-propanoylcyclohexyl)phenyl]phenyl]butan-1-one
CID 70445259
1-cycloheptylpentan-1-one
CID 65399298
N-(4-cyclopropylphenyl)heptanamide
CID 155735657
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920
1-(4-tert-butylcyclohexyl)hexan-1-one
CID 65402508

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one?
The IUPAC name of 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one (CID 101058020) is 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one is CCCCC(=O)C1CCC(c2ccc(C3CCC(C(=O)CCCC)CC3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one?
The InChIKey is TZDYISLRJCEVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O2/c1-3-5-7-27(29)25-17-13-23(14-18-25)21-9-11-22(12-10-21)24-15-19-26(20-16-24)28(30)8-6-4-2/h9-12,23-26H,3-8,13-20H2,1-2H3.
What are the key properties of 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one?
1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one has a molecular weight of 410.64 g/mol, XLogP of 7.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one is sourced from PubChem (CID 101058020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).