4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one

C19H34O — CID 18964399

IUPAC4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
SMILESCCCCCC1CCC(C(C)C2CCC(=O)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-4-5-6-16-7-9-17(10-8-16)15(2)18-11-13-19(20)14-12-18/h15-18H,3-14H2,1-2H3
InChIKeyUHPNLAYOYRIDDG-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.77
Rot. Bonds6

About 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one

4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one (PubChem CID 18964399) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
PubChem CID18964399
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
SMILESCCCCCC1CCC(C(C)C2CCC(=O)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-4-5-6-16-7-9-17(10-8-16)15(2)18-11-13-19(20)14-12-18/h15-18H,3-14H2,1-2H3
InChIKeyUHPNLAYOYRIDDG-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-heptylcyclohexyl)ethyl]cyclohexan-1-one
CID 15006713
4-decylcyclohexan-1-one
CID 13479948
hexane;pentylcyclopropane
CID 159592467
3-pentylcyclopentan-1-one
CID 11040911
6-decylcyclododecan-1-one
CID 21490531
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
CID 19846809
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
azane;hexylcyclopropane
CID 135322230
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one?
The IUPAC name of 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one (CID 18964399) is 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one is CCCCCC1CCC(C(C)C2CCC(=O)CC2)CC1.
What is the InChIKey of 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one?
The InChIKey is UHPNLAYOYRIDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-4-5-6-16-7-9-17(10-8-16)15(2)18-11-13-19(20)14-12-18/h15-18H,3-14H2,1-2H3.
What are the key properties of 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one?
4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one has a molecular weight of 278.48 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one is sourced from PubChem (CID 18964399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).