2-tetradec-6-enoxybutanoic acid

C18H34O3 — CID 90725661

IUPAC2-tetradec-6-enoxybutanoic acid
SMILESCCCCCCCC=CCCCCCOC(CC)C(=O)O
InChIInChI=1S/C18H34O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-17(4-2)18(19)20/h10-11,17H,3-9,12-16H2,1-2H3,(H,19,20)
InChIKeyUHWRRDDEDTUPMP-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.34
Rot. Bonds15

About 2-tetradec-6-enoxybutanoic acid

2-tetradec-6-enoxybutanoic acid (PubChem CID 90725661) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-tetradec-6-enoxybutanoic acid.

Molecular Properties

Compound Name2-tetradec-6-enoxybutanoic acid
PubChem CID90725661
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name2-tetradec-6-enoxybutanoic acid
SMILESCCCCCCCC=CCCCCCOC(CC)C(=O)O
InChIInChI=1S/C18H34O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-17(4-2)18(19)20/h10-11,17H,3-9,12-16H2,1-2H3,(H,19,20)
InChIKeyUHWRRDDEDTUPMP-UHFFFAOYSA-N
XLogP5.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid
CID 138680323
2-[(E)-non-2-enoxy]butanoic acid
CID 175496576
(2S)-2-icosa-5,8,11,14,17-pentaenoxybutanoic acid
CID 91030738
2-[(5Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 118643971
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 78210211
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid;2-methylpropan-2-amine
CID 173108193
2-decoxydecanoic acid
CID 152638766
2-(5-aminopentoxy)butanoic acid
CID 82352847
2-nonadecoxybutanedioic acid
CID 122611322
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
carbonic acid;(Z)-octadec-9-ene
CID 87599003
methyl (9Z,12Z)-octadeca-9,12-dienoate;(Z)-2-[(9Z,12Z)-octadeca-9,12-dienoxy]octadec-9-enoic acid;(Z)-octadec-9-enoic acid
CID 175767549

Frequently Asked Questions

What is the IUPAC name of 2-tetradec-6-enoxybutanoic acid?
The IUPAC name of 2-tetradec-6-enoxybutanoic acid (CID 90725661) is 2-tetradec-6-enoxybutanoic acid.
What is the SMILES notation for 2-tetradec-6-enoxybutanoic acid?
The canonical SMILES for 2-tetradec-6-enoxybutanoic acid is CCCCCCCC=CCCCCCOC(CC)C(=O)O.
What is the InChIKey of 2-tetradec-6-enoxybutanoic acid?
The InChIKey is UHWRRDDEDTUPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-17(4-2)18(19)20/h10-11,17H,3-9,12-16H2,1-2H3,(H,19,20).
What are the key properties of 2-tetradec-6-enoxybutanoic acid?
2-tetradec-6-enoxybutanoic acid has a molecular weight of 298.47 g/mol, XLogP of 5.34, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradec-6-enoxybutanoic acid is sourced from PubChem (CID 90725661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).