4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate

C10H16O3 — CID 87364325

IUPAC4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate
SMILESC=CC(OC(=O)C(=C)C)C(O)CC
InChIInChI=1S/C10H16O3/c1-5-8(11)9(6-2)13-10(12)7(3)4/h6,8-9,11H,2-3,5H2,1,4H3
InChIKeyWJDHWSGSHHCULS-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.43
Rot. Bonds5

About 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate

4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate (PubChem CID 87364325) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate
PubChem CID87364325
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate
SMILESC=CC(OC(=O)C(=C)C)C(O)CC
InChIInChI=1S/C10H16O3/c1-5-8(11)9(6-2)13-10(12)7(3)4/h6,8-9,11H,2-3,5H2,1,4H3
InChIKeyWJDHWSGSHHCULS-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate?
The IUPAC name of 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate (CID 87364325) is 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate is C=CC(OC(=O)C(=C)C)C(O)CC.
What is the InChIKey of 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate?
The InChIKey is WJDHWSGSHHCULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-8(11)9(6-2)13-10(12)7(3)4/h6,8-9,11H,2-3,5H2,1,4H3.
What are the key properties of 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate?
4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyhex-1-en-3-yl 2-methylprop-2-enoate is sourced from PubChem (CID 87364325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).