3-(2,3-dihydrothiophen-5-yl)hexan-3-ol

C10H18OS — CID 134996483

IUPAC3-(2,3-dihydrothiophen-5-yl)hexan-3-ol
SMILESCCCC(O)(CC)C1=CCCS1
InChIInChI=1S/C10H18OS/c1-3-7-10(11,4-2)9-6-5-8-12-9/h6,11H,3-5,7-8H2,1-2H3
InChIKeyAGWHRFNQUQPOBT-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.95
Rot. Bonds4

About 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol

3-(2,3-dihydrothiophen-5-yl)hexan-3-ol (PubChem CID 134996483) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydrothiophen-5-yl)hexan-3-ol
PubChem CID134996483
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-(2,3-dihydrothiophen-5-yl)hexan-3-ol
SMILESCCCC(O)(CC)C1=CCCS1
InChIInChI=1S/C10H18OS/c1-3-7-10(11,4-2)9-6-5-8-12-9/h6,11H,3-5,7-8H2,1-2H3
InChIKeyAGWHRFNQUQPOBT-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13530218
1-(2,3-Dihydrothiophen-5-yl)cyclobutan-1-ol
CID 14964046
(1-Hydroxycyclohex-2-en-1-yl)methyl-dimethylsulfanium iodide
CID 86134012
(3R)-3,7-dimethyl-1-propan-2-ylsulfanyloct-6-en-3-ol
CID 14153383
1-(Ethylsulfanylethyl]-3,5,6-trimethylphenol
CID 86596502
2-(5-Methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
CID 146613118
2-(2,3-Dimethyl-2,3-dihydrothiophen-5-yl)propan-2-ol
CID 167269498
1-[Tert-butylsulfanyl(methylsulfanyl)methyl]cyclohex-2-en-1-ol
CID 10634196
(2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol
CID 10702724
1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
CID 12715915
1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
CID 12715916
1-(1-Tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
CID 12715918

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol?
The IUPAC name of 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol (CID 134996483) is 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol.
What is the SMILES notation for 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol?
The canonical SMILES for 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol is CCCC(O)(CC)C1=CCCS1.
What is the InChIKey of 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol?
The InChIKey is AGWHRFNQUQPOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-7-10(11,4-2)9-6-5-8-12-9/h6,11H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol?
3-(2,3-dihydrothiophen-5-yl)hexan-3-ol has a molecular weight of 186.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrothiophen-5-yl)hexan-3-ol is sourced from PubChem (CID 134996483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).