3-thiophen-3-ylpentan-3-ol

C9H14OS — CID 65099780

IUPAC3-thiophen-3-ylpentan-3-ol
SMILESCCC(O)(CC)c1ccsc1
InChIInChI=1S/C9H14OS/c1-3-9(10,4-2)8-5-6-11-7-8/h5-7,10H,3-4H2,1-2H3
InChIKeyBORGUTKNDNDDLW-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.76
Rot. Bonds3

About 3-thiophen-3-ylpentan-3-ol

3-thiophen-3-ylpentan-3-ol (PubChem CID 65099780) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-thiophen-3-ylpentan-3-ol.

Molecular Properties

Compound Name3-thiophen-3-ylpentan-3-ol
PubChem CID65099780
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name3-thiophen-3-ylpentan-3-ol
SMILESCCC(O)(CC)c1ccsc1
InChIInChI=1S/C9H14OS/c1-3-9(10,4-2)8-5-6-11-7-8/h5-7,10H,3-4H2,1-2H3
InChIKeyBORGUTKNDNDDLW-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-thiophen-3-ylpentan-3-amine
CID 65099925
3-thiophen-3-ylpent-1-en-3-ol
CID 130929664
2-methyl-3-thiophen-3-ylpent-1-en-3-ol
CID 131021089
ethane;2-thiophen-3-ylpropan-2-ol
CID 144659448
bis(methylamino)-thiophen-3-ylmethanol
CID 126493654
3-methyl-2-thiophen-3-ylpentan-2-ol
CID 65100069
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
2-methyl-2-thiophen-3-ylbutan-1-amine
CID 82412624
(4S)-4-methyl-4-thiophen-3-ylhexan-2-one
CID 137378766
4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol
CID 127003873
1-(2,3-dihydrofuran-4-yl)-1-thiophen-3-ylpropan-1-ol
CID 130948591
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpentan-3-ol?
The IUPAC name of 3-thiophen-3-ylpentan-3-ol (CID 65099780) is 3-thiophen-3-ylpentan-3-ol.
What is the SMILES notation for 3-thiophen-3-ylpentan-3-ol?
The canonical SMILES for 3-thiophen-3-ylpentan-3-ol is CCC(O)(CC)c1ccsc1.
What is the InChIKey of 3-thiophen-3-ylpentan-3-ol?
The InChIKey is BORGUTKNDNDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-3-9(10,4-2)8-5-6-11-7-8/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 3-thiophen-3-ylpentan-3-ol?
3-thiophen-3-ylpentan-3-ol has a molecular weight of 170.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpentan-3-ol is sourced from PubChem (CID 65099780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).