benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate

C15H20O3 — CID 163454781

IUPACbenzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
SMILESCOCCCC1(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H20O3/c1-17-11-5-8-15(9-10-15)14(16)18-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3
InChIKeyBJNCGHHDCBBTIM-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.94
Rot. Bonds7

About benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate

benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate (PubChem CID 163454781) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
PubChem CID163454781
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namebenzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
SMILESCOCCCC1(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H20O3/c1-17-11-5-8-15(9-10-15)14(16)18-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3
InChIKeyBJNCGHHDCBBTIM-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
CID 142267765
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
benzyl 1-butylcyclohex-3-ene-1-carboxylate
CID 67113420
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
benzyl 2-(methoxymethyl)oxirane-2-carboxylate
CID 134309660
dibenzyl 1,3,6-trimethylazepane-3,6-dicarboxylate
CID 167239709
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
2-(4-methoxybutyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 104650574
dibenzyl (3S)-5-tert-butyl-3-(2-methoxyethyl)piperidine-1,3-dicarboxylate
CID 178133707
benzyl 4-(4-chlorobutyl)-2-oxopiperidine-4-carboxylate
CID 171843934
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate?
The IUPAC name of benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate (CID 163454781) is benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate.
What is the SMILES notation for benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate?
The canonical SMILES for benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate is COCCCC1(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate?
The InChIKey is BJNCGHHDCBBTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-11-5-8-15(9-10-15)14(16)18-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3.
What are the key properties of benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate?
benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 163454781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).