[cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate

C17H20O2 — CID 101265009

IUPAC[cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate
SMILESCC(=O)OC(=C1CCCC1)C1CC1c1ccccc1
InChIInChI=1S/C17H20O2/c1-12(18)19-17(14-9-5-6-10-14)16-11-15(16)13-7-3-2-4-8-13/h2-4,7-8,15-16H,5-6,9-11H2,1H3
InChIKeyDBHPLSQJFVKLSP-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.18
Rot. Bonds3

About [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate

[cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate (PubChem CID 101265009) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate.

Molecular Properties

Compound Name[cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate
PubChem CID101265009
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name[cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate
SMILESCC(=O)OC(=C1CCCC1)C1CC1c1ccccc1
InChIInChI=1S/C17H20O2/c1-12(18)19-17(14-9-5-6-10-14)16-11-15(16)13-7-3-2-4-8-13/h2-4,7-8,15-16H,5-6,9-11H2,1H3
InChIKeyDBHPLSQJFVKLSP-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
2,2-dimethoxy-1-(2-phenylcyclopropyl)ethanone
CID 116517110
2-bromo-3-methyl-1-(2-phenylcyclopropyl)but-2-en-1-one
CID 59864944
[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene
CID 11672948
methyl (Z)-3-methoxy-2-(2-phenylcyclopropyl)prop-2-enoate
CID 20832386
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
1-[4-(2-phenylcyclopropyl)phenyl]ethanone
CID 4663286

Frequently Asked Questions

What is the IUPAC name of [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate?
The IUPAC name of [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate (CID 101265009) is [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate.
What is the SMILES notation for [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate?
The canonical SMILES for [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate is CC(=O)OC(=C1CCCC1)C1CC1c1ccccc1.
What is the InChIKey of [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate?
The InChIKey is DBHPLSQJFVKLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(18)19-17(14-9-5-6-10-14)16-11-15(16)13-7-3-2-4-8-13/h2-4,7-8,15-16H,5-6,9-11H2,1H3.
What are the key properties of [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate?
[cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate has a molecular weight of 256.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentylidene-(2-phenylcyclopropyl)methyl] acetate is sourced from PubChem (CID 101265009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).