(1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate

C12H20O3 — CID 139605389

IUPAC(1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(OCC)CCC(C)C1
InChIInChI=1S/C12H20O3/c1-5-14-12(7-6-10(4)8-12)15-11(13)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyRNZAWYDJINVUCV-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.66
Rot. Bonds4

About (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate

(1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 139605389) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate
PubChem CID139605389
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(OCC)CCC(C)C1
InChIInChI=1S/C12H20O3/c1-5-14-12(7-6-10(4)8-12)15-11(13)9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyRNZAWYDJINVUCV-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Ethylpentyl 2-methylprop-2-enoate
CID 22708528
3-Methylcyclopentyl 2-methyl-2-propenoate
CID 54091837
3-Methylhexan-2-yl 2-methylprop-2-enoate
CID 59117774
Cyclopentylmethyl 2-methylprop-2-enoate
CID 59912997
2-Methylcyclopentyl 2-methyl-2-propenoate
CID 67321409
[1-(3-Methylbutoxy)cyclohexyl] 2-methylprop-2-enoate
CID 68734121
1-(2-Ethylhexoxy)ethyl 2-methylprop-2-enoate
CID 87135079
(1-Methylcyclopentyl) 2-(ethoxymethoxymethyl)prop-2-enoate
CID 89381492
(1-Methylcyclopentyl) 2-(methoxymethoxymethyl)prop-2-enoate
CID 89381545
Cyclopentylmethoxymethyl 2-methylprop-2-enoate
CID 89593316
2-Cyclopentylethyl 2-methylprop-2-enoate
CID 123733131
1-Methoxycyclopentyl methacrylate
CID 134272437

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate?
The IUPAC name of (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate (CID 139605389) is (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(OCC)CCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate?
The InChIKey is RNZAWYDJINVUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-5-14-12(7-6-10(4)8-12)15-11(13)9(2)3/h10H,2,5-8H2,1,3-4H3.
What are the key properties of (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate?
(1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 139605389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).