(Z)-3-cyclohexylsulfanylprop-2-en-1-ol

C9H16OS — CID 13331410

IUPAC(Z)-3-cyclohexylsulfanylprop-2-en-1-ol
SMILESOC/C=C\SC1CCCCC1
InChIInChI=1S/C9H16OS/c10-7-4-8-11-9-5-2-1-3-6-9/h4,8-10H,1-3,5-7H2/b8-4-
InChIKeyPUXFOHZRQOLDNS-YWEYNIOJSA-N
MW172.29 g/mol
LogP2.56
Rot. Bonds3

About (Z)-3-cyclohexylsulfanylprop-2-en-1-ol

(Z)-3-cyclohexylsulfanylprop-2-en-1-ol (PubChem CID 13331410) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (Z)-3-cyclohexylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-cyclohexylsulfanylprop-2-en-1-ol
PubChem CID13331410
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(Z)-3-cyclohexylsulfanylprop-2-en-1-ol
SMILESOC/C=C\SC1CCCCC1
InChIInChI=1S/C9H16OS/c10-7-4-8-11-9-5-2-1-3-6-9/h4,8-10H,1-3,5-7H2/b8-4-
InChIKeyPUXFOHZRQOLDNS-YWEYNIOJSA-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

(Z)-3-pentylsulfanylprop-2-en-1-ol
CID 13331402
Cdhdjniwsxngbx-uhfffaoysa-
CID 13331408
3-Hexylthio-2-propenol
CID 54232710
1-Dodecylsulfanylprop-2-en-1-ol
CID 142703729
1-Pentylsulfanylprop-2-en-1-ol
CID 173655073
(Z)-3-dodecylsulfanylprop-2-en-1-ol
CID 11184499
(E)-3-pentylsulfanylprop-2-en-1-ol
CID 13331401
(E)-3-cyclohexylsulfanylprop-2-en-1-ol
CID 13331409

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-cyclohexylsulfanylprop-2-en-1-ol (CID 13331410) is (Z)-3-cyclohexylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-cyclohexylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-cyclohexylsulfanylprop-2-en-1-ol is OC/C=C\SC1CCCCC1.
What is the InChIKey of (Z)-3-cyclohexylsulfanylprop-2-en-1-ol?
The InChIKey is PUXFOHZRQOLDNS-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H16OS/c10-7-4-8-11-9-5-2-1-3-6-9/h4,8-10H,1-3,5-7H2/b8-4-.
What are the key properties of (Z)-3-cyclohexylsulfanylprop-2-en-1-ol?
(Z)-3-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 (Z)-3-cyclohexylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).