2-hydroxyethyl 2-methylpent-2-enoate

C8H14O3 — CID 137318053

IUPAC2-hydroxyethyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OCCO
InChIInChI=1S/C8H14O3/c1-3-4-7(2)8(10)11-6-5-9/h4,9H,3,5-6H2,1-2H3
InChIKeyNCEGSEKAVHKMJX-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds4

About 2-hydroxyethyl 2-methylpent-2-enoate

2-hydroxyethyl 2-methylpent-2-enoate (PubChem CID 137318053) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylpent-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylpent-2-enoate
PubChem CID137318053
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-hydroxyethyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OCCO
InChIInChI=1S/C8H14O3/c1-3-4-7(2)8(10)11-6-5-9/h4,9H,3,5-6H2,1-2H3
InChIKeyNCEGSEKAVHKMJX-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.88
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

hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
ethyl (E)-2-methylpent-2-enoate
CID 6436311
2-hydroxyethyl 5-hydroxy-2-methylhept-2-enoate
CID 57211942
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578
2-hydroxyethyl 2-methylhexa-2,5-dienoate
CID 57086729
2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
CID 173011903
chloromethyl 2-methylpent-2-enoate
CID 174869785
(4-methyl-3-oxopent-4-enyl) 2-methylpent-2-enoate
CID 91164062
2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate
CID 163864906
3-hydroxypropyl 2-methylhex-2-enoate
CID 139671823
1-O-(4-hydroxybutyl) 6-O-(2-hydroxyethyl) (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 178064848

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylpent-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-methylpent-2-enoate (CID 137318053) is 2-hydroxyethyl 2-methylpent-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-methylpent-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-methylpent-2-enoate is CCC=C(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-methylpent-2-enoate?
The InChIKey is NCEGSEKAVHKMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-7(2)8(10)11-6-5-9/h4,9H,3,5-6H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2-methylpent-2-enoate?
2-hydroxyethyl 2-methylpent-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylpent-2-enoate is sourced from PubChem (CID 137318053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).