4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid

C16H20O3 — CID 131983406

IUPAC4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COC2/C=C\CCCCC2)cc1
InChIInChI=1S/C16H20O3/c17-16(18)14-10-8-13(9-11-14)12-19-15-6-4-2-1-3-5-7-15/h4,6,8-11,15H,1-3,5,7,12H2,(H,17,18)/b6-4-
InChIKeyZMWDKXTWFCDRGW-XQRVVYSFSA-N
MW260.33 g/mol
LogP3.79
Rot. Bonds4

About 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid

4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid (PubChem CID 131983406) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid
PubChem CID131983406
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COC2/C=C\CCCCC2)cc1
InChIInChI=1S/C16H20O3/c17-16(18)14-10-8-13(9-11-14)12-19-15-6-4-2-1-3-5-7-15/h4,6,8-11,15H,1-3,5,7,12H2,(H,17,18)/b6-4-
InChIKeyZMWDKXTWFCDRGW-XQRVVYSFSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12512694
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
CID 67807487
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253
4-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199345
4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid
CID 20982029
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
2-O-[(2Z)-cyclooct-2-en-1-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 101173390
benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
CID 129365778
cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid
CID 70151849
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
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CID 155273444

Frequently Asked Questions

What is the IUPAC name of 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid?
The IUPAC name of 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid (CID 131983406) is 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid.
What is the SMILES notation for 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid?
The canonical SMILES for 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid is O=C(O)c1ccc(COC2/C=C\CCCCC2)cc1.
What is the InChIKey of 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid?
The InChIKey is ZMWDKXTWFCDRGW-XQRVVYSFSA-N. The full InChI is InChI=1S/C16H20O3/c17-16(18)14-10-8-13(9-11-14)12-19-15-6-4-2-1-3-5-7-15/h4,6,8-11,15H,1-3,5,7,12H2,(H,17,18)/b6-4-.
What are the key properties of 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid?
4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid has a molecular weight of 260.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid is sourced from PubChem (CID 131983406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).