methyl 3-hydroxy-3-prop-2-enylhex-5-enoate

C10H16O3 — CID 13218064

IUPACmethyl 3-hydroxy-3-prop-2-enylhex-5-enoate
SMILESC=CCC(O)(CC=C)CC(=O)OC
InChIInChI=1S/C10H16O3/c1-4-6-10(12,7-5-2)8-9(11)13-3/h4-5,12H,1-2,6-8H2,3H3
InChIKeyGELLXDOJHLCCNR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.43
Rot. Bonds6

About methyl 3-hydroxy-3-prop-2-enylhex-5-enoate

methyl 3-hydroxy-3-prop-2-enylhex-5-enoate (PubChem CID 13218064) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 3-hydroxy-3-prop-2-enylhex-5-enoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-prop-2-enylhex-5-enoate
PubChem CID13218064
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 3-hydroxy-3-prop-2-enylhex-5-enoate
SMILESC=CCC(O)(CC=C)CC(=O)OC
InChIInChI=1S/C10H16O3/c1-4-6-10(12,7-5-2)8-9(11)13-3/h4-5,12H,1-2,6-8H2,3H3
InChIKeyGELLXDOJHLCCNR-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-prop-2-enylhex-5-enoate?
The IUPAC name of methyl 3-hydroxy-3-prop-2-enylhex-5-enoate (CID 13218064) is methyl 3-hydroxy-3-prop-2-enylhex-5-enoate.
What is the SMILES notation for methyl 3-hydroxy-3-prop-2-enylhex-5-enoate?
The canonical SMILES for methyl 3-hydroxy-3-prop-2-enylhex-5-enoate is C=CCC(O)(CC=C)CC(=O)OC.
What is the InChIKey of methyl 3-hydroxy-3-prop-2-enylhex-5-enoate?
The InChIKey is GELLXDOJHLCCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6-10(12,7-5-2)8-9(11)13-3/h4-5,12H,1-2,6-8H2,3H3.
What are the key properties of methyl 3-hydroxy-3-prop-2-enylhex-5-enoate?
methyl 3-hydroxy-3-prop-2-enylhex-5-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-prop-2-enylhex-5-enoate is sourced from PubChem (CID 13218064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).