methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate

C17H24O4 — CID 59907113

IUPACmethyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC(OCCCOCc2ccccc2)C1
InChIInChI=1S/C17H24O4/c1-19-17(18)15-8-9-16(12-15)21-11-5-10-20-13-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t15-,16?/m0/s1
InChIKeyAAZJOZMQPSPXJA-VYRBHSGPSA-N
MW292.37 g/mol
LogP2.95
Rot. Bonds8

About methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate

methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate (PubChem CID 59907113) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate
PubChem CID59907113
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Namemethyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC(OCCCOCc2ccccc2)C1
InChIInChI=1S/C17H24O4/c1-19-17(18)15-8-9-16(12-15)21-11-5-10-20-13-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t15-,16?/m0/s1
InChIKeyAAZJOZMQPSPXJA-VYRBHSGPSA-N
XLogP2.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
cis-methyl (1R,3S)-3-(2-phenylethoxy)cyclohexane-1-carboxylate
CID 129389048
4-phenylbutyl 3-(4-phenylbutoxy)cyclopentane-1-carboxylate
CID 77177493
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
(2S,4R)-1-methyl-4-(3-phenylmethoxypropoxy)pyrrolidine-2-carboxylic acid
CID 59906891
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(3-phenylmethoxypropoxy)pyrrolidine-1,2-dicarboxylate;(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-phenylmethoxypropoxy)pyrrolidine-2-carboxylic acid
CID 159933465
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
(3-methoxycarbonylcyclopentyl) benzoate
CID 135191852
4-(3-phenylmethoxypropoxy)piperidine
CID 171491541
methyl 8-phenylmethoxyoctanoate
CID 562206
[(1S)-1-cyclohexyl-2-[(4R)-2-methoxycarbonyl-4-(3-phenylmethoxypropoxy)pyrrolidin-1-yl]-2-oxoethyl]azanium
CID 59917306

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate (CID 59907113) is methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate is COC(=O)[C@H]1CCC(OCCCOCc2ccccc2)C1.
What is the InChIKey of methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate?
The InChIKey is AAZJOZMQPSPXJA-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H24O4/c1-19-17(18)15-8-9-16(12-15)21-11-5-10-20-13-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t15-,16?/m0/s1.
What are the key properties of methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate?
methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate has a molecular weight of 292.37 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 59907113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).