benzyl 3-methoxycyclopentane-1-carboxylate

C14H18O3 — CID 175265399

IUPACbenzyl 3-methoxycyclopentane-1-carboxylate
SMILESCOC1CCC(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H18O3/c1-16-13-8-7-12(9-13)14(15)17-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyVBYBCNRBSTYQPL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.54
Rot. Bonds4

About benzyl 3-methoxycyclopentane-1-carboxylate

benzyl 3-methoxycyclopentane-1-carboxylate (PubChem CID 175265399) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is benzyl 3-methoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methoxycyclopentane-1-carboxylate
PubChem CID175265399
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namebenzyl 3-methoxycyclopentane-1-carboxylate
SMILESCOC1CCC(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H18O3/c1-16-13-8-7-12(9-13)14(15)17-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyVBYBCNRBSTYQPL-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020
benzyl 3-(propan-2-ylideneamino)cyclopentane-1-carboxylate
CID 23533654
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
cis-benzyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 69436465
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
carbon dioxide;trans-benzyl (1S,3S)-3-benzylcyclopentane-1-carboxylate
CID 157404672
methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate
CID 59907113

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methoxycyclopentane-1-carboxylate?
The IUPAC name of benzyl 3-methoxycyclopentane-1-carboxylate (CID 175265399) is benzyl 3-methoxycyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 3-methoxycyclopentane-1-carboxylate?
The canonical SMILES for benzyl 3-methoxycyclopentane-1-carboxylate is COC1CCC(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-methoxycyclopentane-1-carboxylate?
The InChIKey is VBYBCNRBSTYQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-8-7-12(9-13)14(15)17-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3.
What are the key properties of benzyl 3-methoxycyclopentane-1-carboxylate?
benzyl 3-methoxycyclopentane-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methoxycyclopentane-1-carboxylate is sourced from PubChem (CID 175265399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).