3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate

C10H16O3 — CID 87364326

IUPAC3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate
SMILESC=CCC(O)(CC)OC(=O)C(=C)C
InChIInChI=1S/C10H16O3/c1-5-7-10(12,6-2)13-9(11)8(3)4/h5,12H,1,3,6-7H2,2,4H3
InChIKeyWEKMDLSDHJFBQR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.78
Rot. Bonds5

About 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate

3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate (PubChem CID 87364326) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate
PubChem CID87364326
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate
SMILESC=CCC(O)(CC)OC(=O)C(=C)C
InChIInChI=1S/C10H16O3/c1-5-7-10(12,6-2)13-9(11)8(3)4/h5,12H,1,3,6-7H2,2,4H3
InChIKeyWEKMDLSDHJFBQR-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate
CID 20643704
[1-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-oxido-oxophosphanium
CID 175530429
3-(phosphonooxymethyl)pentan-3-yl 2-methylprop-2-enoate
CID 87476353
[4-ethyl-1,4-dihydroxy-3-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
CID 140807532
(2-cyano-3-hydroxypent-1-en-3-yl) 2-methylprop-2-enoate
CID 141169453
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
(2R)-2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoic acid
CID 97052188
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 139619196
hydroxy-dimethyl-[2-(2-methylprop-2-enoyloxy)butan-2-yl]azanium
CID 87307438
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate?
The IUPAC name of 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate (CID 87364326) is 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate.
What is the SMILES notation for 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate?
The canonical SMILES for 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate is C=CCC(O)(CC)OC(=O)C(=C)C.
What is the InChIKey of 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate?
The InChIKey is WEKMDLSDHJFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-7-10(12,6-2)13-9(11)8(3)4/h5,12H,1,3,6-7H2,2,4H3.
What are the key properties of 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate?
3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyhex-5-en-3-yl 2-methylprop-2-enoate is sourced from PubChem (CID 87364326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).