7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid

C16H28O4 — CID 155235780

IUPAC7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid
SMILESCCCCCC/C=C\COC(=O)CCCCCC(=O)O
InChIInChI=1S/C16H28O4/c1-2-3-4-5-6-7-11-14-20-16(19)13-10-8-9-12-15(17)18/h7,11H,2-6,8-10,12-14H2,1H3,(H,17,18)/b11-7-
InChIKeyRRZZFKOSVBRKMH-XFFZJAGNSA-N
MW284.40 g/mol
LogP4.09
Rot. Bonds13

About 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid

7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid (PubChem CID 155235780) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid
PubChem CID155235780
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid
SMILESCCCCCC/C=C\COC(=O)CCCCCC(=O)O
InChIInChI=1S/C16H28O4/c1-2-3-4-5-6-7-11-14-20-16(19)13-10-8-9-12-15(17)18/h7,11H,2-6,8-10,12-14H2,1H3,(H,17,18)/b11-7-
InChIKeyRRZZFKOSVBRKMH-XFFZJAGNSA-N
XLogP4.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-non-2-enyl] octanoate;octanoic acid
CID 175155639
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(Z)-non-2-enyl] decanoate
CID 88564768
4-octadec-2-enoxy-4-oxobutanoic acid
CID 54223186
ethyl (Z)-octadec-9-enoate;(Z)-octadec-9-enoic acid
CID 135354246
ethyl octadec-9-enoate;octadec-9-enoic acid
CID 173380169
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
28-icos-13-enoyloxyoctacosanoic acid
CID 166098257
19-icos-11-enoyloxynonadecanoic acid
CID 170564328
27-octadec-9-enoyloxyheptacosanoic acid
CID 54307945
12-icos-13-enoyloxydodecanoic acid
CID 166098152

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid?
The IUPAC name of 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid (CID 155235780) is 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid.
What is the SMILES notation for 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid?
The canonical SMILES for 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid is CCCCCC/C=C\COC(=O)CCCCCC(=O)O.
What is the InChIKey of 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid?
The InChIKey is RRZZFKOSVBRKMH-XFFZJAGNSA-N. The full InChI is InChI=1S/C16H28O4/c1-2-3-4-5-6-7-11-14-20-16(19)13-10-8-9-12-15(17)18/h7,11H,2-6,8-10,12-14H2,1H3,(H,17,18)/b11-7-.
What are the key properties of 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid?
7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid has a molecular weight of 284.40 g/mol, XLogP of 4.09, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid is sourced from PubChem (CID 155235780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).