(1S,2S)-1,2-dicyclohexylethane-1,2-diol

C14H26O2 — CID 10955279

IUPAC(1S,2S)-1,2-dicyclohexylethane-1,2-diol
SMILESO[C@@H](C1CCCCC1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H26O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-16H,1-10H2/t13-,14-/m0/s1
InChIKeyCKHLARJSOMXDKL-KBPBESRZSA-N
MW226.36 g/mol
LogP2.87
Rot. Bonds3

About (1S,2S)-1,2-dicyclohexylethane-1,2-diol

(1S,2S)-1,2-dicyclohexylethane-1,2-diol (PubChem CID 10955279) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1S,2S)-1,2-dicyclohexylethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-dicyclohexylethane-1,2-diol
PubChem CID10955279
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1S,2S)-1,2-dicyclohexylethane-1,2-diol
SMILESO[C@@H](C1CCCCC1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H26O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-16H,1-10H2/t13-,14-/m0/s1
InChIKeyCKHLARJSOMXDKL-KBPBESRZSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-dicyclohexylethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-dicyclohexylethane-1,2-diol (CID 10955279) is (1S,2S)-1,2-dicyclohexylethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-dicyclohexylethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-dicyclohexylethane-1,2-diol is O[C@@H](C1CCCCC1)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2S)-1,2-dicyclohexylethane-1,2-diol?
The InChIKey is CKHLARJSOMXDKL-KBPBESRZSA-N. The full InChI is InChI=1S/C14H26O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-16H,1-10H2/t13-,14-/m0/s1.
What are the key properties of (1S,2S)-1,2-dicyclohexylethane-1,2-diol?
(1S,2S)-1,2-dicyclohexylethane-1,2-diol has a molecular weight of 226.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-dicyclohexylethane-1,2-diol is sourced from PubChem (CID 10955279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).