3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

C11H18O4 — CID 87095939

IUPAC3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOCCCOC(=O)C1C(C=O)C1(C)C
InChIInChI=1S/C11H18O4/c1-11(2)8(7-12)9(11)10(13)15-6-4-5-14-3/h7-9H,4-6H2,1-3H3
InChIKeyJFSUQHZNQQUIGF-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.04
Rot. Bonds6

About 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 87095939) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID87095939
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOCCCOC(=O)C1C(C=O)C1(C)C
InChIInChI=1S/C11H18O4/c1-11(2)8(7-12)9(11)10(13)15-6-4-5-14-3/h7-9H,4-6H2,1-3H3
InChIKeyJFSUQHZNQQUIGF-UHFFFAOYSA-N
XLogP1.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 23073779
trans-methoxymethyl (1R,3S)-3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 13272137
2,2,2-trichloroethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 87119669
(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 19351655
3-methoxypropyl 3-oxopropanoate
CID 144975882
butan-2-yl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 23073793
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789
ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 149163256
trans-ethyl (1R,3S)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 86739238
cis-ethyl (1S,3S)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 94862316
trans-ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 719276
cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94180392

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate (CID 87095939) is 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate is COCCCOC(=O)C1C(C=O)C1(C)C.
What is the InChIKey of 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is JFSUQHZNQQUIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2)8(7-12)9(11)10(13)15-6-4-5-14-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 87095939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).