4-(1-hydroxycyclohexyl)oxolan-2-one

C10H16O3 — CID 12664730

IUPAC4-(1-hydroxycyclohexyl)oxolan-2-one
SMILESO=C1CC(C2(O)CCCCC2)CO1
InChIInChI=1S/C10H16O3/c11-9-6-8(7-13-9)10(12)4-2-1-3-5-10/h8,12H,1-7H2
InChIKeyUPUGHIYIHLBEIL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.24
Rot. Bonds1

About 4-(1-hydroxycyclohexyl)oxolan-2-one

4-(1-hydroxycyclohexyl)oxolan-2-one (PubChem CID 12664730) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(1-hydroxycyclohexyl)oxolan-2-one.

Molecular Properties

Compound Name4-(1-hydroxycyclohexyl)oxolan-2-one
PubChem CID12664730
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-(1-hydroxycyclohexyl)oxolan-2-one
SMILESO=C1CC(C2(O)CCCCC2)CO1
InChIInChI=1S/C10H16O3/c11-9-6-8(7-13-9)10(12)4-2-1-3-5-10/h8,12H,1-7H2
InChIKeyUPUGHIYIHLBEIL-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclohexyl)oxolan-2-one?
The IUPAC name of 4-(1-hydroxycyclohexyl)oxolan-2-one (CID 12664730) is 4-(1-hydroxycyclohexyl)oxolan-2-one.
What is the SMILES notation for 4-(1-hydroxycyclohexyl)oxolan-2-one?
The canonical SMILES for 4-(1-hydroxycyclohexyl)oxolan-2-one is O=C1CC(C2(O)CCCCC2)CO1.
What is the InChIKey of 4-(1-hydroxycyclohexyl)oxolan-2-one?
The InChIKey is UPUGHIYIHLBEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-6-8(7-13-9)10(12)4-2-1-3-5-10/h8,12H,1-7H2.
What are the key properties of 4-(1-hydroxycyclohexyl)oxolan-2-one?
4-(1-hydroxycyclohexyl)oxolan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclohexyl)oxolan-2-one is sourced from PubChem (CID 12664730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).