cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde

C7H12O2 — CID 101255922

IUPACcis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde
SMILESO=C[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h5-7,9H,1-4H2/t6-,7+/m1/s1
InChIKeyXPEUTONKFADCGE-RQJHMYQMSA-N
MW128.17 g/mol
LogP0.74
Rot. Bonds1

About cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde

cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde (PubChem CID 101255922) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde
PubChem CID101255922
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Namecis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde
SMILESO=C[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h5-7,9H,1-4H2/t6-,7+/m1/s1
InChIKeyXPEUTONKFADCGE-RQJHMYQMSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde (CID 101255922) is cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde is O=C[C@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde?
The InChIKey is XPEUTONKFADCGE-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-6-3-1-2-4-7(6)9/h5-7,9H,1-4H2/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde?
cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde has a molecular weight of 128.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-hydroxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 101255922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).