2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate

C18H32O3 — CID 66606377

IUPAC2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1(CCO)CCCCCCCCC1
InChIInChI=1S/C18H32O3/c1-16(2)17(20)21-15-13-18(12-14-19)10-8-6-4-3-5-7-9-11-18/h19H,1,3-15H2,2H3
InChIKeyUDVGHLLSBVUKPK-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.39
Rot. Bonds6

About 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate

2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate (PubChem CID 66606377) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
PubChem CID66606377
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1(CCO)CCCCCCCCC1
InChIInChI=1S/C18H32O3/c1-16(2)17(20)21-15-13-18(12-14-19)10-8-6-4-3-5-7-9-11-18/h19H,1,3-15H2,2H3
InChIKeyUDVGHLLSBVUKPK-UHFFFAOYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.39
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

tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783
2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]oxetan-2-yl]ethyl 2-methylprop-2-enoate
CID 151986382
2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate
CID 68551017
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate
CID 123204528
1-[4-(2-methylprop-2-enoyloxy)butoxycarbonyl]cyclohexane-1-carboxylic acid
CID 141441045
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
[2-(1-methylcyclohexyl)-2-oxoethyl] 2-methylprop-2-enoate
CID 68781991

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate (CID 66606377) is 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1(CCO)CCCCCCCCC1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate?
The InChIKey is UDVGHLLSBVUKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-16(2)17(20)21-15-13-18(12-14-19)10-8-6-4-3-5-7-9-11-18/h19H,1,3-15H2,2H3.
What are the key properties of 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate?
2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate has a molecular weight of 296.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 66606377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).