[(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate

C14H18O3 — CID 68776485

IUPAC[(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate
SMILESCC/C=C\C(C)COC(=O)c1ccccc1O
InChIInChI=1S/C14H18O3/c1-3-4-7-11(2)10-17-14(16)12-8-5-6-9-13(12)15/h4-9,11,15H,3,10H2,1-2H3/b7-4-
InChIKeyFVNYKGIZWBIEJO-DAXSKMNVSA-N
MW234.29 g/mol
LogP3.15
Rot. Bonds5

About [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate

[(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate (PubChem CID 68776485) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate
PubChem CID68776485
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name[(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate
SMILESCC/C=C\C(C)COC(=O)c1ccccc1O
InChIInChI=1S/C14H18O3/c1-3-4-7-11(2)10-17-14(16)12-8-5-6-9-13(12)15/h4-9,11,15H,3,10H2,1-2H3/b7-4-
InChIKeyFVNYKGIZWBIEJO-DAXSKMNVSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.15
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

ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
(2-hydroxy-4,5-dimethylheptyl) 2-hydroxybenzoate
CID 123861039
[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
3,7,11-trimethyldodecyl 2-hydroxybenzoate
CID 166045663
3,7-dimethyloctyl 2-hydroxybenzoate
CID 166045648
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
(3-but-2-enoyloxy-2-hydroxypropyl) 2-hydroxybenzoate
CID 57170271
1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate
CID 71068223
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
CID 151967003
hexyl 2-hydroxybenzoate
CID 22629
icosyl 2-hydroxybenzoate
CID 19044963

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate?
The IUPAC name of [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate (CID 68776485) is [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate.
What is the SMILES notation for [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate?
The canonical SMILES for [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate is CC/C=C\C(C)COC(=O)c1ccccc1O.
What is the InChIKey of [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate?
The InChIKey is FVNYKGIZWBIEJO-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-4-7-11(2)10-17-14(16)12-8-5-6-9-13(12)15/h4-9,11,15H,3,10H2,1-2H3/b7-4-.
What are the key properties of [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate?
[(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate has a molecular weight of 234.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methylhex-3-enyl] 2-hydroxybenzoate is sourced from PubChem (CID 68776485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).