(3-ethylcyclohexyl)-(thian-2-yl)methanol

C14H26OS — CID 80622566

IUPAC(3-ethylcyclohexyl)-(thian-2-yl)methanol
SMILESCCC1CCCC(C(O)C2CCCCS2)C1
InChIInChI=1S/C14H26OS/c1-2-11-6-5-7-12(10-11)14(15)13-8-3-4-9-16-13/h11-15H,2-10H2,1H3
InChIKeyOKYBUQBLGKCSJQ-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.85
Rot. Bonds3

About (3-ethylcyclohexyl)-(thian-2-yl)methanol

(3-ethylcyclohexyl)-(thian-2-yl)methanol (PubChem CID 80622566) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(thian-2-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(thian-2-yl)methanol
PubChem CID80622566
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(3-ethylcyclohexyl)-(thian-2-yl)methanol
SMILESCCC1CCCC(C(O)C2CCCCS2)C1
InChIInChI=1S/C14H26OS/c1-2-11-6-5-7-12(10-11)14(15)13-8-3-4-9-16-13/h11-15H,2-10H2,1H3
InChIKeyOKYBUQBLGKCSJQ-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(thian-2-yl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(thian-2-yl)methanol (CID 80622566) is (3-ethylcyclohexyl)-(thian-2-yl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(thian-2-yl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(thian-2-yl)methanol is CCC1CCCC(C(O)C2CCCCS2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(thian-2-yl)methanol?
The InChIKey is OKYBUQBLGKCSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS/c1-2-11-6-5-7-12(10-11)14(15)13-8-3-4-9-16-13/h11-15H,2-10H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-(thian-2-yl)methanol?
(3-ethylcyclohexyl)-(thian-2-yl)methanol has a molecular weight of 242.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(thian-2-yl)methanol is sourced from PubChem (CID 80622566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).