methyl 2-butyl-2-formylcyclopropane-1-carboxylate

C10H16O3 — CID 134922593

IUPACmethyl 2-butyl-2-formylcyclopropane-1-carboxylate
SMILESCCCCC1(C=O)CC1C(=O)OC
InChIInChI=1S/C10H16O3/c1-3-4-5-10(7-11)6-8(10)9(12)13-2/h7-8H,3-6H2,1-2H3
InChIKeySNHBQHNDZDMLSJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.55
Rot. Bonds5

About methyl 2-butyl-2-formylcyclopropane-1-carboxylate

methyl 2-butyl-2-formylcyclopropane-1-carboxylate (PubChem CID 134922593) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-butyl-2-formylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-2-formylcyclopropane-1-carboxylate
PubChem CID134922593
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-butyl-2-formylcyclopropane-1-carboxylate
SMILESCCCCC1(C=O)CC1C(=O)OC
InChIInChI=1S/C10H16O3/c1-3-4-5-10(7-11)6-8(10)9(12)13-2/h7-8H,3-6H2,1-2H3
InChIKeySNHBQHNDZDMLSJ-UHFFFAOYSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate
CID 10935487
trans-methyl (1R,2R)-2-formyl-2-[3-(oxan-2-yloxy)propyl]cyclopropane-1-carboxylate
CID 100933112
methyl 2-benzyl-2-formylcyclopropane-1-carboxylate
CID 134986288
cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate
CID 10966254
methyl (3R,4S,6S)-6-butyl-3-methoxy-3,6-dimethyldioxane-4-carboxylate
CID 56925658
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
methyl 3-methyl-3-pentyloxirane-2-carboxylate
CID 80558710
methyl 2-butyloxirane-2-carboxylate
CID 18471262
methyl 3-[(Z)-2-formylhex-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 87347645
methyl 3-[(E)-hex-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23158622
methyl 2,2-dimethyl-5-oxo-1-pentylpyrrolidine-3-carboxylate
CID 117022920
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
CID 10909650

Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-2-formylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-butyl-2-formylcyclopropane-1-carboxylate (CID 134922593) is methyl 2-butyl-2-formylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-butyl-2-formylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-butyl-2-formylcyclopropane-1-carboxylate is CCCCC1(C=O)CC1C(=O)OC.
What is the InChIKey of methyl 2-butyl-2-formylcyclopropane-1-carboxylate?
The InChIKey is SNHBQHNDZDMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-10(7-11)6-8(10)9(12)13-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-butyl-2-formylcyclopropane-1-carboxylate?
methyl 2-butyl-2-formylcyclopropane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-2-formylcyclopropane-1-carboxylate is sourced from PubChem (CID 134922593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).