(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate

C16H26O3 — CID 57100902

IUPAC(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H26O3/c1-12(2)15(17)19-11-16(18,13-7-3-4-8-13)14-9-5-6-10-14/h13-14,18H,1,3-11H2,2H3
InChIKeyLNHWNWBITYFTGB-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.22
Rot. Bonds5

About (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate

(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate (PubChem CID 57100902) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
PubChem CID57100902
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H26O3/c1-12(2)15(17)19-11-16(18,13-7-3-4-8-13)14-9-5-6-10-14/h13-14,18H,1,3-11H2,2H3
InChIKeyLNHWNWBITYFTGB-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.22
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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Related Compounds

(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
CID 144855879
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate
CID 139637207
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87558283
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate;oxolane
CID 90200711
1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 151718599
bis(2-methylprop-2-enoyl) cyclohexane-1,2-dicarboxylate
CID 87249059

Frequently Asked Questions

What is the IUPAC name of (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate?
The IUPAC name of (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate (CID 57100902) is (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate?
The canonical SMILES for (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)(C1CCCC1)C1CCCC1.
What is the InChIKey of (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate?
The InChIKey is LNHWNWBITYFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-12(2)15(17)19-11-16(18,13-7-3-4-8-13)14-9-5-6-10-14/h13-14,18H,1,3-11H2,2H3.
What are the key properties of (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate?
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate has a molecular weight of 266.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate is sourced from PubChem (CID 57100902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).