11-acetyloxy-9-methylundec-10-enoic acid

C14H24O4 — CID 174156021

IUPAC11-acetyloxy-9-methylundec-10-enoic acid
SMILESCC(=O)OC=CC(C)CCCCCCCC(=O)O
InChIInChI=1S/C14H24O4/c1-12(10-11-18-13(2)15)8-6-4-3-5-7-9-14(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyAJRUKOUUGJJZHA-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.51
Rot. Bonds10

About 11-acetyloxy-9-methylundec-10-enoic acid

11-acetyloxy-9-methylundec-10-enoic acid (PubChem CID 174156021) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 11-acetyloxy-9-methylundec-10-enoic acid.

Molecular Properties

Compound Name11-acetyloxy-9-methylundec-10-enoic acid
PubChem CID174156021
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name11-acetyloxy-9-methylundec-10-enoic acid
SMILESCC(=O)OC=CC(C)CCCCCCCC(=O)O
InChIInChI=1S/C14H24O4/c1-12(10-11-18-13(2)15)8-6-4-3-5-7-9-14(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyAJRUKOUUGJJZHA-UHFFFAOYSA-N
XLogP3.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyltrideca-2,4-dienedioic acid
CID 175056311
7-acetyloxyoctanoic acid
CID 14119881
9-methylnonadec-10-enoic acid
CID 57288184
(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid
CID 171377638
16-methylheptadecanoic acid
CID 87200881
19-methylheptatriacontanedioic acid
CID 141009772
methoxymethane;16-methylheptadecanoic acid
CID 175921970
19-methoxy-18-methyl-19-oxononadecanoic acid
CID 89462442
(7S,8E,11Z,13S)-7,9,11,13-tetramethyloctadeca-8,11-dienoic acid
CID 176732810
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
8-methylnonanoic acid;zinc
CID 175431403
azane;16-methylheptadecanoic acid
CID 161380406

Frequently Asked Questions

What is the IUPAC name of 11-acetyloxy-9-methylundec-10-enoic acid?
The IUPAC name of 11-acetyloxy-9-methylundec-10-enoic acid (CID 174156021) is 11-acetyloxy-9-methylundec-10-enoic acid.
What is the SMILES notation for 11-acetyloxy-9-methylundec-10-enoic acid?
The canonical SMILES for 11-acetyloxy-9-methylundec-10-enoic acid is CC(=O)OC=CC(C)CCCCCCCC(=O)O.
What is the InChIKey of 11-acetyloxy-9-methylundec-10-enoic acid?
The InChIKey is AJRUKOUUGJJZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-12(10-11-18-13(2)15)8-6-4-3-5-7-9-14(16)17/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 11-acetyloxy-9-methylundec-10-enoic acid?
11-acetyloxy-9-methylundec-10-enoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-acetyloxy-9-methylundec-10-enoic acid is sourced from PubChem (CID 174156021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).