7-cyclohex-2-en-1-yloxycarbonylnonanoic acid

C16H26O4 — CID 141096786

IUPAC7-cyclohex-2-en-1-yloxycarbonylnonanoic acid
SMILESCCC(CCCCCC(=O)O)C(=O)OC1C=CCCC1
InChIInChI=1S/C16H26O4/c1-2-13(9-5-3-8-12-15(17)18)16(19)20-14-10-6-4-7-11-14/h6,10,13-14H,2-5,7-9,11-12H2,1H3,(H,17,18)
InChIKeyPPUBDTAPYPUUKC-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.70
Rot. Bonds9

About 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid

7-cyclohex-2-en-1-yloxycarbonylnonanoic acid (PubChem CID 141096786) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid.

Molecular Properties

Compound Name7-cyclohex-2-en-1-yloxycarbonylnonanoic acid
PubChem CID141096786
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name7-cyclohex-2-en-1-yloxycarbonylnonanoic acid
SMILESCCC(CCCCCC(=O)O)C(=O)OC1C=CCCC1
InChIInChI=1S/C16H26O4/c1-2-13(9-5-3-8-12-15(17)18)16(19)20-14-10-6-4-7-11-14/h6,10,13-14H,2-5,7-9,11-12H2,1H3,(H,17,18)
InChIKeyPPUBDTAPYPUUKC-UHFFFAOYSA-N
XLogP3.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.70
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'}

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Related Compounds

cyclohex-2-en-1-yl propanoate
CID 10986464
2-ethylhexadecanedioic acid
CID 88785674
7-phenylmethoxycarbonylnonanoic acid
CID 154313414
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
5-methoxycarbonylheptanoic acid
CID 174416227
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794
5-silyloxycarbonylheptanoic acid
CID 175188564
cyclohexene;6-methylheptanoic acid
CID 129275318
cyclohexene;bis(nonanoic acid)
CID 159857878
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
9-cyclohexyloxyoctadecanoic acid
CID 22371636
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459

Frequently Asked Questions

What is the IUPAC name of 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid?
The IUPAC name of 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid (CID 141096786) is 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid.
What is the SMILES notation for 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid?
The canonical SMILES for 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid is CCC(CCCCCC(=O)O)C(=O)OC1C=CCCC1.
What is the InChIKey of 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid?
The InChIKey is PPUBDTAPYPUUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-2-13(9-5-3-8-12-15(17)18)16(19)20-14-10-6-4-7-11-14/h6,10,13-14H,2-5,7-9,11-12H2,1H3,(H,17,18).
What are the key properties of 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid?
7-cyclohex-2-en-1-yloxycarbonylnonanoic acid has a molecular weight of 282.38 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohex-2-en-1-yloxycarbonylnonanoic acid is sourced from PubChem (CID 141096786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).