[2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate

C11H18O3 — CID 175269764

IUPAC[2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)C1CC(C)C1
InChIInChI=1S/C11H18O3/c1-7(2)11(13)14-6-10(12)9-4-8(3)5-9/h8-10,12H,1,4-6H2,2-3H3
InChIKeyDYKMDNHRAIXBLW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.51
Rot. Bonds4

About [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate

[2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate (PubChem CID 175269764) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate
PubChem CID175269764
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)C1CC(C)C1
InChIInChI=1S/C11H18O3/c1-7(2)11(13)14-6-10(12)9-4-8(3)5-9/h8-10,12H,1,4-6H2,2-3H3
InChIKeyDYKMDNHRAIXBLW-UHFFFAOYSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.51
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-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate (CID 175269764) is [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)C1CC(C)C1.
What is the InChIKey of [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate?
The InChIKey is DYKMDNHRAIXBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)11(13)14-6-10(12)9-4-8(3)5-9/h8-10,12H,1,4-6H2,2-3H3.
What are the key properties of [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate?
[2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 175269764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).