4-undec-10-enoxybenzoate

C18H25O3- — CID 7009276

IUPAC4-undec-10-enoxybenzoate
SMILESC=CCCCCCCCCCOc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h2,11-14H,1,3-10,15H2,(H,19,20)/p-1
InChIKeyAWUMMWYGOIPYOJ-UHFFFAOYSA-M
MW289.39 g/mol
LogP3.74
Rot. Bonds12

About 4-undec-10-enoxybenzoate

4-undec-10-enoxybenzoate (PubChem CID 7009276) has the molecular formula C18H25O3- and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-undec-10-enoxybenzoate.

Molecular Properties

Compound Name4-undec-10-enoxybenzoate
PubChem CID7009276
Molecular FormulaC18H25O3-
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name4-undec-10-enoxybenzoate
SMILESC=CCCCCCCCCCOc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h2,11-14H,1,3-10,15H2,(H,19,20)/p-1
InChIKeyAWUMMWYGOIPYOJ-UHFFFAOYSA-M
XLogP3.74
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.74
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

(4-hex-5-enoxyphenyl) 4-hex-5-enoxybenzoate
CID 86174635
4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
CID 102225423
(4-non-8-enoxyphenyl) 4-pentoxybenzoate
CID 54371747
(4-pentoxyphenyl) 4-undec-10-enoxybenzoate
CID 54431546
ethane;hept-1-ene;(4-hexoxyphenyl) 4-heptoxybenzoate
CID 142615529
sodium 4-(2-ethenoxyethoxy)benzoate
CID 66850784
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
dodecylazanium;4-hexoxybenzoate
CID 141267494
4-(8-but-3-enoxyoctoxy)benzoic acid
CID 19797910
[3-[4-(4-dec-9-enoxyphenyl)benzoyl]oxyphenyl] 4-(4-dec-9-enoxyphenyl)benzoate
CID 101351837
[3-[4-(4-undec-10-enoxyphenyl)benzoyl]oxyphenyl] 4-(4-undec-10-enoxyphenyl)benzoate
CID 101351833
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254

Frequently Asked Questions

What is the IUPAC name of 4-undec-10-enoxybenzoate?
The IUPAC name of 4-undec-10-enoxybenzoate (CID 7009276) is 4-undec-10-enoxybenzoate.
What is the SMILES notation for 4-undec-10-enoxybenzoate?
The canonical SMILES for 4-undec-10-enoxybenzoate is C=CCCCCCCCCCOc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-undec-10-enoxybenzoate?
The InChIKey is AWUMMWYGOIPYOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h2,11-14H,1,3-10,15H2,(H,19,20)/p-1.
What are the key properties of 4-undec-10-enoxybenzoate?
4-undec-10-enoxybenzoate has a molecular weight of 289.39 g/mol, XLogP of 3.74, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-undec-10-enoxybenzoate is sourced from PubChem (CID 7009276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).