2-dec-9-enoxybenzoate

C17H23O3- — CID 22354189

IUPAC2-dec-9-enoxybenzoate
SMILESC=CCCCCCCCCOc1ccccc1C(=O)[O-]
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-11-14-20-16-13-10-9-12-15(16)17(18)19/h2,9-10,12-13H,1,3-8,11,14H2,(H,18,19)/p-1
InChIKeyKWBQQKZWZKMVPE-UHFFFAOYSA-M
MW275.37 g/mol
LogP3.35
Rot. Bonds11

About 2-dec-9-enoxybenzoate

2-dec-9-enoxybenzoate (PubChem CID 22354189) has the molecular formula C17H23O3- and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-dec-9-enoxybenzoate.

Molecular Properties

Compound Name2-dec-9-enoxybenzoate
PubChem CID22354189
Molecular FormulaC17H23O3-
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-dec-9-enoxybenzoate
SMILESC=CCCCCCCCCOc1ccccc1C(=O)[O-]
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-11-14-20-16-13-10-9-12-15(16)17(18)19/h2,9-10,12-13H,1,3-8,11,14H2,(H,18,19)/p-1
InChIKeyKWBQQKZWZKMVPE-UHFFFAOYSA-M
XLogP3.35
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

magnesium bis(2-decoxybenzoate)
CID 70413847
zinc bis(2-butoxybenzoate)
CID 67242742
(2-hept-6-enoxyphenyl)methanol
CID 107007457
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812
4-undec-10-enoxybenzoate
CID 7009276
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
CID 107007278
1,3-bis(dec-9-enoxy)-2-phenylbenzene
CID 134837533
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-hept-6-enoxy-5-methylbenzoic acid
CID 107005947
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
dec-9-enoxymethylbenzene
CID 91868068

Frequently Asked Questions

What is the IUPAC name of 2-dec-9-enoxybenzoate?
The IUPAC name of 2-dec-9-enoxybenzoate (CID 22354189) is 2-dec-9-enoxybenzoate.
What is the SMILES notation for 2-dec-9-enoxybenzoate?
The canonical SMILES for 2-dec-9-enoxybenzoate is C=CCCCCCCCCOc1ccccc1C(=O)[O-].
What is the InChIKey of 2-dec-9-enoxybenzoate?
The InChIKey is KWBQQKZWZKMVPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-11-14-20-16-13-10-9-12-15(16)17(18)19/h2,9-10,12-13H,1,3-8,11,14H2,(H,18,19)/p-1.
What are the key properties of 2-dec-9-enoxybenzoate?
2-dec-9-enoxybenzoate has a molecular weight of 275.37 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enoxybenzoate is sourced from PubChem (CID 22354189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).