1-cyclooctyl-4-hydroxybutan-1-one

C12H22O2 — CID 134987719

IUPAC1-cyclooctyl-4-hydroxybutan-1-one
SMILESO=C(CCCO)C1CCCCCCC1
InChIInChI=1S/C12H22O2/c13-10-6-9-12(14)11-7-4-2-1-3-5-8-11/h11,13H,1-10H2
InChIKeyPJPUXVHBLHUZRX-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclooctyl-4-hydroxybutan-1-one

1-cyclooctyl-4-hydroxybutan-1-one (PubChem CID 134987719) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclooctyl-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-cyclooctyl-4-hydroxybutan-1-one
PubChem CID134987719
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-cyclooctyl-4-hydroxybutan-1-one
SMILESO=C(CCCO)C1CCCCCCC1
InChIInChI=1S/C12H22O2/c13-10-6-9-12(14)11-7-4-2-1-3-5-8-11/h11,13H,1-10H2
InChIKeyPJPUXVHBLHUZRX-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-hydroxybutan-1-one?
The IUPAC name of 1-cyclooctyl-4-hydroxybutan-1-one (CID 134987719) is 1-cyclooctyl-4-hydroxybutan-1-one.
What is the SMILES notation for 1-cyclooctyl-4-hydroxybutan-1-one?
The canonical SMILES for 1-cyclooctyl-4-hydroxybutan-1-one is O=C(CCCO)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-4-hydroxybutan-1-one?
The InChIKey is PJPUXVHBLHUZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-10-6-9-12(14)11-7-4-2-1-3-5-8-11/h11,13H,1-10H2.
What are the key properties of 1-cyclooctyl-4-hydroxybutan-1-one?
1-cyclooctyl-4-hydroxybutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-hydroxybutan-1-one is sourced from PubChem (CID 134987719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).