2-cyclohexylsulfanylprop-2-en-1-ol

C9H16OS — CID 13331408

IUPAC2-cyclohexylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC1CCCCC1
InChIInChI=1S/C9H16OS/c1-8(7-10)11-9-5-3-2-4-6-9/h9-10H,1-7H2
InChIKeyCDHDJNIWSXNGBX-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.56
Rot. Bonds3

About 2-cyclohexylsulfanylprop-2-en-1-ol

2-cyclohexylsulfanylprop-2-en-1-ol (PubChem CID 13331408) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-cyclohexylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-cyclohexylsulfanylprop-2-en-1-ol
PubChem CID13331408
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-cyclohexylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SC1CCCCC1
InChIInChI=1S/C9H16OS/c1-8(7-10)11-9-5-3-2-4-6-9/h9-10H,1-7H2
InChIKeyCDHDJNIWSXNGBX-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pentylsulfanylprop-2-en-1-ol
CID 13331386
(Z)-3-cyclohexylsulfanylprop-2-en-1-ol
CID 13331410
2-Dodecylsulfanylprop-2-en-1-ol
CID 11149597
3-Hexylthio-2-propenol
CID 54232710
1-Pentylsulfanylprop-2-en-1-ol
CID 173655073
2-Pentan-3-ylsulfanylprop-2-en-1-ol
CID 13331388
(E)-3-cyclohexylsulfanylprop-2-en-1-ol
CID 13331409

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-cyclohexylsulfanylprop-2-en-1-ol (CID 13331408) is 2-cyclohexylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-cyclohexylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-cyclohexylsulfanylprop-2-en-1-ol is C=C(CO)SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanylprop-2-en-1-ol?
The InChIKey is CDHDJNIWSXNGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-8(7-10)11-9-5-3-2-4-6-9/h9-10H,1-7H2.
What are the key properties of 2-cyclohexylsulfanylprop-2-en-1-ol?
2-cyclohexylsulfanylprop-2-en-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).