cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde

C7H12O3 — CID 45083538

IUPACcis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde
SMILESCOC(OC)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C7H12O3/c1-9-7(10-2)6-3-5(6)4-8/h4-7H,3H2,1-2H3/t5-,6+/m0/s1
InChIKeyQZENMUXEETZUSK-NTSWFWBYSA-N
MW144.17 g/mol
LogP0.44
Rot. Bonds4

About cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde

cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde (PubChem CID 45083538) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde
PubChem CID45083538
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde
SMILESCOC(OC)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C7H12O3/c1-9-7(10-2)6-3-5(6)4-8/h4-7H,3H2,1-2H3/t5-,6+/m0/s1
InChIKeyQZENMUXEETZUSK-NTSWFWBYSA-N
XLogP0.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde (CID 45083538) is cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde is COC(OC)[C@@H]1C[C@H]1C=O.
What is the InChIKey of cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde?
The InChIKey is QZENMUXEETZUSK-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-7(10-2)6-3-5(6)4-8/h4-7H,3H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 45083538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).