2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate

C10H18O3 — CID 173486801

IUPAC2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate
SMILESC/C=C/C(C)(CC)C(=O)OCCO
InChIInChI=1S/C10H18O3/c1-4-6-10(3,5-2)9(12)13-8-7-11/h4,6,11H,5,7-8H2,1-3H3/b6-4+
InChIKeyHRXXXQYLEBIVOB-GQCTYLIASA-N
MW186.25 g/mol
LogP1.51
Rot. Bonds5

About 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate

2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate (PubChem CID 173486801) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate.

Molecular Properties

Compound Name2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate
PubChem CID173486801
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate
SMILESC/C=C/C(C)(CC)C(=O)OCCO
InChIInChI=1S/C10H18O3/c1-4-6-10(3,5-2)9(12)13-8-7-11/h4,6,11H,5,7-8H2,1-3H3/b6-4+
InChIKeyHRXXXQYLEBIVOB-GQCTYLIASA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl (Z)-2-ethyl-2-methylpent-3-enoate
CID 88901213
2-hydroxyethyl 2-tert-butyl-2,3-dimethylpentanoate
CID 126765585
2-hydroxyethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 87664752
didodecyl 2-methyl-2-prop-1-enylpropanedioate
CID 140996079
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
1-O-(2-hydroxyethyl) 3-O-octadecyl 2,2-dimethylpropanedioate
CID 153438657
2-hydroxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 87664251
3-hydroxypropyl 2,2-diethylbutanoate
CID 174412834
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
2-hydroxyethyl 2,2-diethyloctanoate
CID 164897952
2-hydroxyethyl 4-amino-2-(2-aminopropan-2-yl)-2,4-dimethylpentanoate
CID 123562825
2-hydroxyethyl 2,2,2-trifluoroacetate;silver
CID 174706252

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate?
The IUPAC name of 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate (CID 173486801) is 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate.
What is the SMILES notation for 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate?
The canonical SMILES for 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate is C/C=C/C(C)(CC)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate?
The InChIKey is HRXXXQYLEBIVOB-GQCTYLIASA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-10(3,5-2)9(12)13-8-7-11/h4,6,11H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate?
2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate is sourced from PubChem (CID 173486801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).