1-(4-propan-2-ylcyclohexyl)pentan-3-one

C14H26O — CID 155707148

IUPAC1-(4-propan-2-ylcyclohexyl)pentan-3-one
SMILESCCC(=O)CCC1CCC(C(C)C)CC1
InChIInChI=1S/C14H26O/c1-4-14(15)10-7-12-5-8-13(9-6-12)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyYCTLHLZDTMIOIO-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-propan-2-ylcyclohexyl)pentan-3-one

1-(4-propan-2-ylcyclohexyl)pentan-3-one (PubChem CID 155707148) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohexyl)pentan-3-one.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohexyl)pentan-3-one
PubChem CID155707148
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(4-propan-2-ylcyclohexyl)pentan-3-one
SMILESCCC(=O)CCC1CCC(C(C)C)CC1
InChIInChI=1S/C14H26O/c1-4-14(15)10-7-12-5-8-13(9-6-12)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyYCTLHLZDTMIOIO-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohexyl)pentan-3-one?
The IUPAC name of 1-(4-propan-2-ylcyclohexyl)pentan-3-one (CID 155707148) is 1-(4-propan-2-ylcyclohexyl)pentan-3-one.
What is the SMILES notation for 1-(4-propan-2-ylcyclohexyl)pentan-3-one?
The canonical SMILES for 1-(4-propan-2-ylcyclohexyl)pentan-3-one is CCC(=O)CCC1CCC(C(C)C)CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohexyl)pentan-3-one?
The InChIKey is YCTLHLZDTMIOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-14(15)10-7-12-5-8-13(9-6-12)11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylcyclohexyl)pentan-3-one?
1-(4-propan-2-ylcyclohexyl)pentan-3-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohexyl)pentan-3-one is sourced from PubChem (CID 155707148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).