3-(thian-2-yl)hex-5-en-1-ol

C11H20OS — CID 56975610

IUPAC3-(thian-2-yl)hex-5-en-1-ol
SMILESC=CCC(CCO)C1CCCCS1
InChIInChI=1S/C11H20OS/c1-2-5-10(7-8-12)11-6-3-4-9-13-11/h2,10-12H,1,3-9H2
InChIKeyZABGGIAYFPJAMT-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.85
Rot. Bonds5

About 3-(thian-2-yl)hex-5-en-1-ol

3-(thian-2-yl)hex-5-en-1-ol (PubChem CID 56975610) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(thian-2-yl)hex-5-en-1-ol.

Molecular Properties

Compound Name3-(thian-2-yl)hex-5-en-1-ol
PubChem CID56975610
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-(thian-2-yl)hex-5-en-1-ol
SMILESC=CCC(CCO)C1CCCCS1
InChIInChI=1S/C11H20OS/c1-2-5-10(7-8-12)11-6-3-4-9-13-11/h2,10-12H,1,3-9H2
InChIKeyZABGGIAYFPJAMT-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(thian-2-yl)hex-5-en-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R)-2-tert-butylsulfinyl-3-ethenylnonan-1-ol
CID 134896567
4-(2-But-3-enyl-1,3-dithian-2-yl)butan-1-ol
CID 121013061
(2S)-1-(2-methyl-2-propan-2-ylthian-3-yl)hex-5-en-2-ol
CID 53720917
(2S)-1-(2,5-dimethylthian-3-yl)hex-5-en-2-ol
CID 54022884
(2S)-1-(5-methyl-2-propan-2-ylthian-3-yl)hex-5-en-2-ol
CID 57150287
1-[(2R)-2,5-dimethylthian-3-yl]hex-5-en-1-ol
CID 69956042
(2R)-2,5-dimethyl-3-(thian-2-yl)hex-5-en-1-ol
CID 69956044
1-(5-Methylthian-3-yl)hex-5-en-1-ol
CID 69957425
5-Methyl-3-(thian-2-yl)hex-5-en-1-ol
CID 69957426
2-(6-Hexylsulfanylhexyl)hexadec-10-en-1-ol
CID 123531369
2-(2-decyl-3H-thiophen-2-yl)ethanol
CID 140241406
3-Hexyl-2,3-dihydrothiophen-2-ol
CID 143882626

Frequently Asked Questions

What is the IUPAC name of 3-(thian-2-yl)hex-5-en-1-ol?
The IUPAC name of 3-(thian-2-yl)hex-5-en-1-ol (CID 56975610) is 3-(thian-2-yl)hex-5-en-1-ol.
What is the SMILES notation for 3-(thian-2-yl)hex-5-en-1-ol?
The canonical SMILES for 3-(thian-2-yl)hex-5-en-1-ol is C=CCC(CCO)C1CCCCS1.
What is the InChIKey of 3-(thian-2-yl)hex-5-en-1-ol?
The InChIKey is ZABGGIAYFPJAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-2-5-10(7-8-12)11-6-3-4-9-13-11/h2,10-12H,1,3-9H2.
What are the key properties of 3-(thian-2-yl)hex-5-en-1-ol?
3-(thian-2-yl)hex-5-en-1-ol has a molecular weight of 200.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-2-yl)hex-5-en-1-ol is sourced from PubChem (CID 56975610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).