3-(2,3-dihydrothiophen-2-yl)pentan-3-ol

C9H16OS — CID 89171686

IUPAC3-(2,3-dihydrothiophen-2-yl)pentan-3-ol
SMILESCCC(O)(CC)C1CC=CS1
InChIInChI=1S/C9H16OS/c1-3-9(10,4-2)8-6-5-7-11-8/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyQCVCVCUPXXKMCI-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.56
Rot. Bonds3

About 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol

3-(2,3-dihydrothiophen-2-yl)pentan-3-ol (PubChem CID 89171686) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydrothiophen-2-yl)pentan-3-ol
PubChem CID89171686
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name3-(2,3-dihydrothiophen-2-yl)pentan-3-ol
SMILESCCC(O)(CC)C1CC=CS1
InChIInChI=1S/C9H16OS/c1-3-9(10,4-2)8-6-5-7-11-8/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyQCVCVCUPXXKMCI-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol?
The IUPAC name of 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol (CID 89171686) is 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol.
What is the SMILES notation for 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol?
The canonical SMILES for 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol is CCC(O)(CC)C1CC=CS1.
What is the InChIKey of 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol?
The InChIKey is QCVCVCUPXXKMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-9(10,4-2)8-6-5-7-11-8/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol?
3-(2,3-dihydrothiophen-2-yl)pentan-3-ol has a molecular weight of 172.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrothiophen-2-yl)pentan-3-ol is sourced from PubChem (CID 89171686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).