3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol

C14H26O2S — CID 79898846

IUPAC3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol
SMILESCCC(O)(CC)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H26O2S/c1-3-14(15,4-2)12-5-8-16-13(11-12)6-9-17-10-7-13/h12,15H,3-11H2,1-2H3
InChIKeyLPRQBVFUQICPKE-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.23
Rot. Bonds3

About 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol

3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol (PubChem CID 79898846) has the molecular formula C14H26O2S and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol
PubChem CID79898846
Molecular FormulaC14H26O2S
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol
SMILESCCC(O)(CC)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H26O2S/c1-3-14(15,4-2)12-5-8-16-13(11-12)6-9-17-10-7-13/h12,15H,3-11H2,1-2H3
InChIKeyLPRQBVFUQICPKE-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol?
The IUPAC name of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol (CID 79898846) is 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol.
What is the SMILES notation for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol?
The canonical SMILES for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol is CCC(O)(CC)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol?
The InChIKey is LPRQBVFUQICPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S/c1-3-14(15,4-2)12-5-8-16-13(11-12)6-9-17-10-7-13/h12,15H,3-11H2,1-2H3.
What are the key properties of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol?
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol has a molecular weight of 258.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-3-ol is sourced from PubChem (CID 79898846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).