(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol

C13H24OS — CID 105103138

IUPAC(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol
SMILESCC1CCC(C(O)C2CCSC2)CC1C
InChIInChI=1S/C13H24OS/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h9-14H,3-8H2,1-2H3
InChIKeyGDAMLNMSERPHAG-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.17
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol

(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol (PubChem CID 105103138) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol
PubChem CID105103138
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol
SMILESCC1CCC(C(O)C2CCSC2)CC1C
InChIInChI=1S/C13H24OS/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h9-14H,3-8H2,1-2H3
InChIKeyGDAMLNMSERPHAG-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol (CID 105103138) is (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol is CC1CCC(C(O)C2CCSC2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol?
The InChIKey is GDAMLNMSERPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h9-14H,3-8H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol?
(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol has a molecular weight of 228.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol is sourced from PubChem (CID 105103138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).