(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol

C20H28O3 — CID 22119740

IUPAC(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol
SMILESC=C(C)C(=O)OC1(CC)CCCC1.C=C(C)c1ccccc1O
InChIInChI=1S/C11H18O2.C9H10O/c1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-7(2)8-5-3-4-6-9(8)10/h2,4-8H2,1,3H3;3-6,10H,1H2,2H3
InChIKeySDAHLMFBYSXBHR-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.25
Rot. Bonds4

About (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol

(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol (PubChem CID 22119740) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol
PubChem CID22119740
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol
SMILESC=C(C)C(=O)OC1(CC)CCCC1.C=C(C)c1ccccc1O
InChIInChI=1S/C11H18O2.C9H10O/c1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-7(2)8-5-3-4-6-9(8)10/h2,4-8H2,1,3H3;3-6,10H,1H2,2H3
InChIKeySDAHLMFBYSXBHR-UHFFFAOYSA-N
XLogP5.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol?
The IUPAC name of (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol (CID 22119740) is (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol.
What is the SMILES notation for (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol?
The canonical SMILES for (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol is C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)c1ccccc1O.
What is the InChIKey of (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol?
The InChIKey is SDAHLMFBYSXBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2.C9H10O/c1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-7(2)8-5-3-4-6-9(8)10/h2,4-8H2,1,3H3;3-6,10H,1H2,2H3.
What are the key properties of (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol?
(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol has a molecular weight of 316.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol is sourced from PubChem (CID 22119740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).