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

C9H16OS — CID 13331409

IUPAC(E)-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-XBXARRHUSA-N
MW172.29 g/mol
LogP2.56
Rot. Bonds3

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

(E)-3-cyclohexylsulfanylprop-2-en-1-ol (PubChem CID 13331409) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (E)-3-cyclohexylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-cyclohexylsulfanylprop-2-en-1-ol
PubChem CID13331409
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(E)-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-XBXARRHUSA-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
(Z)-3-cyclohexylsulfanylprop-2-en-1-ol
CID 13331410
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

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexylsulfanylprop-2-en-1-ol?
The IUPAC name of (E)-3-cyclohexylsulfanylprop-2-en-1-ol (CID 13331409) is (E)-3-cyclohexylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-cyclohexylsulfanylprop-2-en-1-ol?
The canonical SMILES for (E)-3-cyclohexylsulfanylprop-2-en-1-ol is OC/C=C/SC1CCCCC1.
What is the InChIKey of (E)-3-cyclohexylsulfanylprop-2-en-1-ol?
The InChIKey is PUXFOHZRQOLDNS-XBXARRHUSA-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 (E)-3-cyclohexylsulfanylprop-2-en-1-ol?
(E)-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 (E)-3-cyclohexylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).