undec-10-enoyl 4-hydroxybenzoate

C18H24O4 — CID 173176022

IUPACundec-10-enoyl 4-hydroxybenzoate
SMILESC=CCCCCCCCCC(=O)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-9-10-17(20)22-18(21)15-11-13-16(19)14-12-15/h2,11-14,19H,1,3-10H2
InChIKeyMGDBNAGMGDHFNT-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.38
Rot. Bonds10

About undec-10-enoyl 4-hydroxybenzoate

undec-10-enoyl 4-hydroxybenzoate (PubChem CID 173176022) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is undec-10-enoyl 4-hydroxybenzoate.

Molecular Properties

Compound Nameundec-10-enoyl 4-hydroxybenzoate
PubChem CID173176022
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Nameundec-10-enoyl 4-hydroxybenzoate
SMILESC=CCCCCCCCCC(=O)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-9-10-17(20)22-18(21)15-11-13-16(19)14-12-15/h2,11-14,19H,1,3-10H2
InChIKeyMGDBNAGMGDHFNT-UHFFFAOYSA-N
XLogP4.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid
CID 88839853
bis[(Z)-octadec-9-enoyl] benzene-1,4-dicarboxylate
CID 141297968
8-[4-(7-carboxyheptanoyloxycarbonyl)benzoyl]oxy-8-oxooctanoic acid
CID 175520890
undec-10-enoyl benzenecarboperoxoate
CID 14098196
dibenzoyl octanedioate
CID 175475842
hex-5-enoyl pyridine-3-carboxylate
CID 175156947
4-[(Z)-octadec-9-enoyl]oxycarbonylbenzoic acid
CID 174600003
prop-2-enoyl undec-10-enoate;zinc
CID 174962739
dec-9-eneperoxoic acid
CID 177164421
disodium;hydride;[(Z)-octadec-9-enoyl] benzoate
CID 173427175
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
sulfanyl undec-10-enoate
CID 87067735

Frequently Asked Questions

What is the IUPAC name of undec-10-enoyl 4-hydroxybenzoate?
The IUPAC name of undec-10-enoyl 4-hydroxybenzoate (CID 173176022) is undec-10-enoyl 4-hydroxybenzoate.
What is the SMILES notation for undec-10-enoyl 4-hydroxybenzoate?
The canonical SMILES for undec-10-enoyl 4-hydroxybenzoate is C=CCCCCCCCCC(=O)OC(=O)c1ccc(O)cc1.
What is the InChIKey of undec-10-enoyl 4-hydroxybenzoate?
The InChIKey is MGDBNAGMGDHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-9-10-17(20)22-18(21)15-11-13-16(19)14-12-15/h2,11-14,19H,1,3-10H2.
What are the key properties of undec-10-enoyl 4-hydroxybenzoate?
undec-10-enoyl 4-hydroxybenzoate has a molecular weight of 304.39 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enoyl 4-hydroxybenzoate is sourced from PubChem (CID 173176022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).