cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one

C6H10O3 — CID 15939672

IUPACcis-(2S,3R)-2,3-dihydroxycyclohexan-1-one
SMILESO=C1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O3/c7-4-2-1-3-5(8)6(4)9/h4,6-7,9H,1-3H2/t4-,6+/m1/s1
InChIKeyVLKBFBQNKKKELE-XINAWCOVSA-N
MW130.14 g/mol
LogP-0.54
Rot. Bonds

About cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one

cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one (PubChem CID 15939672) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,3R)-2,3-dihydroxycyclohexan-1-one
PubChem CID15939672
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namecis-(2S,3R)-2,3-dihydroxycyclohexan-1-one
SMILESO=C1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O3/c7-4-2-1-3-5(8)6(4)9/h4,6-7,9H,1-3H2/t4-,6+/m1/s1
InChIKeyVLKBFBQNKKKELE-XINAWCOVSA-N
XLogP-0.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one?
The IUPAC name of cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one (CID 15939672) is cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one.
What is the SMILES notation for cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one?
The canonical SMILES for cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one is O=C1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one?
The InChIKey is VLKBFBQNKKKELE-XINAWCOVSA-N. The full InChI is InChI=1S/C6H10O3/c7-4-2-1-3-5(8)6(4)9/h4,6-7,9H,1-3H2/t4-,6+/m1/s1.
What are the key properties of cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one?
cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one has a molecular weight of 130.14 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-2,3-dihydroxycyclohexan-1-one is sourced from PubChem (CID 15939672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).