cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one

C6H10O3 — CID 124561770

IUPACcis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
SMILESO=C1C[C@@H](O)C[C@@H](O)C1
InChIInChI=1S/C6H10O3/c7-4-1-5(8)3-6(9)2-4/h4-5,7-8H,1-3H2/t4-,5+
InChIKeyWTRJYFFVLSDQFC-SYDPRGILSA-N
MW130.14 g/mol
LogP-0.54
Rot. Bonds

About cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one

cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one (PubChem CID 124561770) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one.

Molecular Properties

Compound Namecis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
PubChem CID124561770
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namecis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
SMILESO=C1C[C@@H](O)C[C@@H](O)C1
InChIInChI=1S/C6H10O3/c7-4-1-5(8)3-6(9)2-4/h4-5,7-8H,1-3H2/t4-,5+
InChIKeyWTRJYFFVLSDQFC-SYDPRGILSA-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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Related Compounds

cis-(3R,5S)-3-hydroxy-5-propylcyclohexan-1-one
CID 101106024
trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216005
cis-(3R,5S)-3,5-bis(hydroxymethyl)cyclohexan-1-one
CID 13239186
cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one
CID 71082391
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
cis-(3S,4R)-3,4-bis(hydroxymethyl)cyclopentan-1-one
CID 11389450
cyclobutane-1,3-diol
CID 175518786
2,5-dihydroxy-3-methylcyclohexan-1-one
CID 130036383
(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one
CID 12561268
cis-(1R,3S)-5-ethylidenecyclohexane-1,3-diol
CID 143238744
(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one
CID 131000469
ethane;(3S,14S)-3-hydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecahydrocyclopenta[a]phenanthren-16-one
CID 144685601

Frequently Asked Questions

What is the IUPAC name of cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one?
The IUPAC name of cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one (CID 124561770) is cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one.
What is the SMILES notation for cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one?
The canonical SMILES for cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one is O=C1C[C@@H](O)C[C@@H](O)C1.
What is the InChIKey of cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one?
The InChIKey is WTRJYFFVLSDQFC-SYDPRGILSA-N. The full InChI is InChI=1S/C6H10O3/c7-4-1-5(8)3-6(9)2-4/h4-5,7-8H,1-3H2/t4-,5+.
What are the key properties of cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one?
cis-(3S,5R)-3,5-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-(3S,5R)-3,5-dihydroxycyclohexan-1-one is sourced from PubChem (CID 124561770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).