(2S)-4-cyclohexylbutane-1,2-diol

C10H20O2 — CID 11171243

IUPAC(2S)-4-cyclohexylbutane-1,2-diol
SMILESOC[C@@H](O)CCC1CCCCC1
InChIInChI=1S/C10H20O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h9-12H,1-8H2/t10-/m0/s1
InChIKeyZVJZCPXIHWFHMH-JTQLQIEISA-N
MW172.27 g/mol
LogP1.70
Rot. Bonds4

About (2S)-4-cyclohexylbutane-1,2-diol

(2S)-4-cyclohexylbutane-1,2-diol (PubChem CID 11171243) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-4-cyclohexylbutane-1,2-diol.

Molecular Properties

Compound Name(2S)-4-cyclohexylbutane-1,2-diol
PubChem CID11171243
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S)-4-cyclohexylbutane-1,2-diol
SMILESOC[C@@H](O)CCC1CCCCC1
InChIInChI=1S/C10H20O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h9-12H,1-8H2/t10-/m0/s1
InChIKeyZVJZCPXIHWFHMH-JTQLQIEISA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclohexylbutane-1,2-diol?
The IUPAC name of (2S)-4-cyclohexylbutane-1,2-diol (CID 11171243) is (2S)-4-cyclohexylbutane-1,2-diol.
What is the SMILES notation for (2S)-4-cyclohexylbutane-1,2-diol?
The canonical SMILES for (2S)-4-cyclohexylbutane-1,2-diol is OC[C@@H](O)CCC1CCCCC1.
What is the InChIKey of (2S)-4-cyclohexylbutane-1,2-diol?
The InChIKey is ZVJZCPXIHWFHMH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h9-12H,1-8H2/t10-/m0/s1.
What are the key properties of (2S)-4-cyclohexylbutane-1,2-diol?
(2S)-4-cyclohexylbutane-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclohexylbutane-1,2-diol is sourced from PubChem (CID 11171243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).