10-methoxy-10-oxodec-2-enoic acid

C11H18O4 — CID 163011459

IUPAC10-methoxy-10-oxodec-2-enoic acid
SMILESCOC(=O)CCCCCCC=CC(=O)O
InChIInChI=1S/C11H18O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7,9H2,1H3,(H,12,13)
InChIKeyPAZIVHODBVDWOT-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.14
Rot. Bonds8

About 10-methoxy-10-oxodec-2-enoic acid

10-methoxy-10-oxodec-2-enoic acid (PubChem CID 163011459) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 10-methoxy-10-oxodec-2-enoic acid.

Molecular Properties

Compound Name10-methoxy-10-oxodec-2-enoic acid
PubChem CID163011459
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name10-methoxy-10-oxodec-2-enoic acid
SMILESCOC(=O)CCCCCCC=CC(=O)O
InChIInChI=1S/C11H18O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7,9H2,1H3,(H,12,13)
InChIKeyPAZIVHODBVDWOT-UHFFFAOYSA-N
XLogP2.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-triacont-15-enedioate
CID 10767955
dimethyl undec-2-enedioate
CID 71341268
(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963
methyl (Z)-hexadec-12-enoate
CID 10978485
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
methyl (E)-19-iodononadec-18-enoate
CID 13463205
methyl (E)-11-iodoundec-10-enoate
CID 12653836
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
dimethyl (E)-hexacos-3-enedioate
CID 118195406
methyl (E)-9-oxooctadec-10-enoate
CID 13173899
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-hexadec-11-enoate
CID 5364696

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-10-oxodec-2-enoic acid?
The IUPAC name of 10-methoxy-10-oxodec-2-enoic acid (CID 163011459) is 10-methoxy-10-oxodec-2-enoic acid.
What is the SMILES notation for 10-methoxy-10-oxodec-2-enoic acid?
The canonical SMILES for 10-methoxy-10-oxodec-2-enoic acid is COC(=O)CCCCCCC=CC(=O)O.
What is the InChIKey of 10-methoxy-10-oxodec-2-enoic acid?
The InChIKey is PAZIVHODBVDWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7,9H2,1H3,(H,12,13).
What are the key properties of 10-methoxy-10-oxodec-2-enoic acid?
10-methoxy-10-oxodec-2-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-10-oxodec-2-enoic acid is sourced from PubChem (CID 163011459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).