trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde

C7H12O3 — CID 45083540

IUPACtrans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde
SMILESO=C[C@@]1(O)CCCC[C@H]1O
InChIInChI=1S/C7H12O3/c8-5-7(10)4-2-1-3-6(7)9/h5-6,9-10H,1-4H2/t6-,7+/m1/s1
InChIKeyPFEGFQOIUVWRIW-RQJHMYQMSA-N
MW144.17 g/mol
LogP-0.15
Rot. Bonds1

About trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde

trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde (PubChem CID 45083540) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde
PubChem CID45083540
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nametrans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde
SMILESO=C[C@@]1(O)CCCC[C@H]1O
InChIInChI=1S/C7H12O3/c8-5-7(10)4-2-1-3-6(7)9/h5-6,9-10H,1-4H2/t6-,7+/m1/s1
InChIKeyPFEGFQOIUVWRIW-RQJHMYQMSA-N
XLogP-0.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2R)-1,2-dihydroxycyclohexyl]ethanone
CID 130753130
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
2,3-dihydroxythiane-3-carbaldehyde
CID 174781632
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
1-[(1S,2S)-2-hydroxy-1-methylcyclohexyl]ethanone
CID 42646159
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
trans-(1S,2S)-1-tert-butylcyclohexane-1,2-diol
CID 11969728
trans-(1R,2R)-1-methyl-2-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 131122718
22-oxo-23-oxa-22λ5-phosphatricyclo[19.2.0.01,22]tricosane-20,21-diol
CID 87216434
2,2-dimethylcyclohexan-1-ol
CID 557637
cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde?
The IUPAC name of trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde (CID 45083540) is trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde is O=C[C@@]1(O)CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde?
The InChIKey is PFEGFQOIUVWRIW-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12O3/c8-5-7(10)4-2-1-3-6(7)9/h5-6,9-10H,1-4H2/t6-,7+/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde?
trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 45083540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).