4-ethyl-1-(thian-4-yl)hexan-2-ol

C13H26OS — CID 105122477

IUPAC4-ethyl-1-(thian-4-yl)hexan-2-ol
SMILESCCC(CC)CC(O)CC1CCSCC1
InChIInChI=1S/C13H26OS/c1-3-11(4-2)9-13(14)10-12-5-7-15-8-6-12/h11-14H,3-10H2,1-2H3
InChIKeyRSOYRXGZDPTZRQ-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.71
Rot. Bonds6

About 4-ethyl-1-(thian-4-yl)hexan-2-ol

4-ethyl-1-(thian-4-yl)hexan-2-ol (PubChem CID 105122477) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is 4-ethyl-1-(thian-4-yl)hexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1-(thian-4-yl)hexan-2-ol
PubChem CID105122477
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name4-ethyl-1-(thian-4-yl)hexan-2-ol
SMILESCCC(CC)CC(O)CC1CCSCC1
InChIInChI=1S/C13H26OS/c1-3-11(4-2)9-13(14)10-12-5-7-15-8-6-12/h11-14H,3-10H2,1-2H3
InChIKeyRSOYRXGZDPTZRQ-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(thian-4-yl)butan-2-ol
CID 105133542
1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105102503
N,4-diethyl-1-(thian-4-yl)octan-2-amine
CID 105103395
1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-ol
CID 114225887
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cyclopentyl-4-ethylhexane-2,5-diol
CID 103160935
2-methyl-N-(thian-4-ylmethyl)pentan-3-amine
CID 115719947
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644
1-cyclobutyl-4-ethylhexan-2-amine
CID 103169365

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(thian-4-yl)hexan-2-ol?
The IUPAC name of 4-ethyl-1-(thian-4-yl)hexan-2-ol (CID 105122477) is 4-ethyl-1-(thian-4-yl)hexan-2-ol.
What is the SMILES notation for 4-ethyl-1-(thian-4-yl)hexan-2-ol?
The canonical SMILES for 4-ethyl-1-(thian-4-yl)hexan-2-ol is CCC(CC)CC(O)CC1CCSCC1.
What is the InChIKey of 4-ethyl-1-(thian-4-yl)hexan-2-ol?
The InChIKey is RSOYRXGZDPTZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OS/c1-3-11(4-2)9-13(14)10-12-5-7-15-8-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-1-(thian-4-yl)hexan-2-ol?
4-ethyl-1-(thian-4-yl)hexan-2-ol has a molecular weight of 230.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(thian-4-yl)hexan-2-ol is sourced from PubChem (CID 105122477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).