ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol

C16H22O3 — CID 174505838

IUPACethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol
SMILESCCOC=O.OC1CCCC1C=Cc1ccccc1
InChIInChI=1S/C13H16O.C3H6O2/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11;1-2-5-3-4/h1-3,5-6,9-10,12-14H,4,7-8H2;3H,2H2,1H3
InChIKeyFBUAZGBAFMZXRC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.04
Rot. Bonds4

About ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol

ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol (PubChem CID 174505838) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol.

Molecular Properties

Compound Nameethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol
PubChem CID174505838
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol
SMILESCCOC=O.OC1CCCC1C=Cc1ccccc1
InChIInChI=1S/C13H16O.C3H6O2/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11;1-2-5-3-4/h1-3,5-6,9-10,12-14H,4,7-8H2;3H,2H2,1H3
InChIKeyFBUAZGBAFMZXRC-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol?
The IUPAC name of ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol (CID 174505838) is ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol.
What is the SMILES notation for ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol?
The canonical SMILES for ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol is CCOC=O.OC1CCCC1C=Cc1ccccc1.
What is the InChIKey of ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol?
The InChIKey is FBUAZGBAFMZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C3H6O2/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11;1-2-5-3-4/h1-3,5-6,9-10,12-14H,4,7-8H2;3H,2H2,1H3.
What are the key properties of ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol?
ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;2-(2-phenylethenyl)cyclopentan-1-ol is sourced from PubChem (CID 174505838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).