(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate

C23H38O4 — CID 175512236

IUPAC(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC1(C)CC.C=CC(=O)OC1CCCC1(C)CC
InChIInChI=1S/C12H20O2.C11H18O2/c1-5-12(4)8-6-7-10(12)14-11(13)9(2)3;1-4-10(12)13-9-7-6-8-11(9,3)5-2/h10H,2,5-8H2,1,3-4H3;4,9H,1,5-8H2,2-3H3
InChIKeyCVAGZEHQAFMCHR-UHFFFAOYSA-N
MW378.55 g/mol
LogP5.76
Rot. Bonds6

About (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate

(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate (PubChem CID 175512236) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate.

Molecular Properties

Compound Name(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
PubChem CID175512236
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC1(C)CC.C=CC(=O)OC1CCCC1(C)CC
InChIInChI=1S/C12H20O2.C11H18O2/c1-5-12(4)8-6-7-10(12)14-11(13)9(2)3;1-4-10(12)13-9-7-6-8-11(9,3)5-2/h10H,2,5-8H2,1,3-4H3;4,9H,1,5-8H2,2-3H3
InChIKeyCVAGZEHQAFMCHR-UHFFFAOYSA-N
XLogP5.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-methyl-3-(2-methylprop-2-enoyloxy)cyclohexane-1,2-dicarboxylic acid
CID 152730237
cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate
CID 70467562
(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate
CID 141485230
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
(2,2-dihydroxycyclohexyl) prop-2-enoate
CID 156755647
spiro[4.6]undecan-4-yl prop-2-enoate
CID 164546838
2-methylprop-2-enoic acid;1,7,7-trimethylbicyclo[2.2.1]heptane;[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 174941966
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
prop-2-enoic acid;[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 174869515
(8a-hydroxy-2,3,3a,4,5,5a,6,7,8,8b-decahydro-1H-acenaphthylen-1-yl) prop-2-enoate
CID 91156193
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate?
The IUPAC name of (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate (CID 175512236) is (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate.
What is the SMILES notation for (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate?
The canonical SMILES for (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate is C=C(C)C(=O)OC1CCCC1(C)CC.C=CC(=O)OC1CCCC1(C)CC.
What is the InChIKey of (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate?
The InChIKey is CVAGZEHQAFMCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C11H18O2/c1-5-12(4)8-6-7-10(12)14-11(13)9(2)3;1-4-10(12)13-9-7-6-8-11(9,3)5-2/h10H,2,5-8H2,1,3-4H3;4,9H,1,5-8H2,2-3H3.
What are the key properties of (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate?
(2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate has a molecular weight of 378.55 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methylcyclopentyl) 2-methylprop-2-enoate;(2-ethyl-2-methylcyclopentyl) prop-2-enoate is sourced from PubChem (CID 175512236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).