1-cyclohexylbutan-2-one

C10H18O — CID 11469192

IUPAC1-cyclohexylbutan-2-one
SMILESCCC(=O)CC1CCCCC1
InChIInChI=1S/C10H18O/c1-2-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyZICCKEFQTCBFAO-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.94
Rot. Bonds3

About 1-cyclohexylbutan-2-one

1-cyclohexylbutan-2-one (PubChem CID 11469192) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-cyclohexylbutan-2-one.

Molecular Properties

Compound Name1-cyclohexylbutan-2-one
PubChem CID11469192
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-cyclohexylbutan-2-one
SMILESCCC(=O)CC1CCCCC1
InChIInChI=1S/C10H18O/c1-2-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyZICCKEFQTCBFAO-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylbutan-2-one?
The IUPAC name of 1-cyclohexylbutan-2-one (CID 11469192) is 1-cyclohexylbutan-2-one.
What is the SMILES notation for 1-cyclohexylbutan-2-one?
The canonical SMILES for 1-cyclohexylbutan-2-one is CCC(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexylbutan-2-one?
The InChIKey is ZICCKEFQTCBFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of 1-cyclohexylbutan-2-one?
1-cyclohexylbutan-2-one has a molecular weight of 154.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylbutan-2-one is sourced from PubChem (CID 11469192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).