cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde

C9H16O2 — CID 13457402

IUPACcis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde
SMILESCCOC[C@H]1[C@@H](C=O)C1(C)C
InChIInChI=1S/C9H16O2/c1-4-11-6-8-7(5-10)9(8,2)3/h5,7-8H,4,6H2,1-3H3/t7-,8+/m1/s1
InChIKeyMIXUOZLTKHXCMM-SFYZADRCSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds4

About cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde

cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde (PubChem CID 13457402) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde
PubChem CID13457402
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde
SMILESCCOC[C@H]1[C@@H](C=O)C1(C)C
InChIInChI=1S/C9H16O2/c1-4-11-6-8-7(5-10)9(8,2)3/h5,7-8H,4,6H2,1-3H3/t7-,8+/m1/s1
InChIKeyMIXUOZLTKHXCMM-SFYZADRCSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
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-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde (CID 13457402) is cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde is CCOC[C@H]1[C@@H](C=O)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde?
The InChIKey is MIXUOZLTKHXCMM-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-11-6-8-7(5-10)9(8,2)3/h5,7-8H,4,6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde?
cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 13457402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).