(1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate

C16H20O3 — CID 164960055

IUPAC(1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate
SMILESC=Cc1cc(O)cc(C(=O)OC2(CC)CCCC2)c1
InChIInChI=1S/C16H20O3/c1-3-12-9-13(11-14(17)10-12)15(18)19-16(4-2)7-5-6-8-16/h3,9-11,17H,1,4-8H2,2H3
InChIKeySYYVAXZHAUSWPM-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.91
Rot. Bonds4

About (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate

(1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate (PubChem CID 164960055) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate
PubChem CID164960055
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate
SMILESC=Cc1cc(O)cc(C(=O)OC2(CC)CCCC2)c1
InChIInChI=1S/C16H20O3/c1-3-12-9-13(11-14(17)10-12)15(18)19-16(4-2)7-5-6-8-16/h3,9-11,17H,1,4-8H2,2H3
InChIKeySYYVAXZHAUSWPM-UHFFFAOYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate?
The IUPAC name of (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate (CID 164960055) is (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate.
What is the SMILES notation for (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate?
The canonical SMILES for (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate is C=Cc1cc(O)cc(C(=O)OC2(CC)CCCC2)c1.
What is the InChIKey of (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate?
The InChIKey is SYYVAXZHAUSWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-3-12-9-13(11-14(17)10-12)15(18)19-16(4-2)7-5-6-8-16/h3,9-11,17H,1,4-8H2,2H3.
What are the key properties of (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate?
(1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate has a molecular weight of 260.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 3-ethenyl-5-hydroxybenzoate is sourced from PubChem (CID 164960055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).