2-(13-hydroxyheptadec-11-enoxy)acetic acid

C19H36O4 — CID 86215708

IUPAC2-(13-hydroxyheptadec-11-enoxy)acetic acid
SMILESCCCCC(O)C=CCCCCCCCCCCOCC(=O)O
InChIInChI=1S/C19H36O4/c1-2-3-14-18(20)15-12-10-8-6-4-5-7-9-11-13-16-23-17-19(21)22/h12,15,18,20H,2-11,13-14,16-17H2,1H3,(H,21,22)
InChIKeyUTFSXZCNZCINSA-UHFFFAOYSA-N
MW328.49 g/mol
LogP4.71
Rot. Bonds17

About 2-(13-hydroxyheptadec-11-enoxy)acetic acid

2-(13-hydroxyheptadec-11-enoxy)acetic acid (PubChem CID 86215708) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 2-(13-hydroxyheptadec-11-enoxy)acetic acid.

Molecular Properties

Compound Name2-(13-hydroxyheptadec-11-enoxy)acetic acid
PubChem CID86215708
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name2-(13-hydroxyheptadec-11-enoxy)acetic acid
SMILESCCCCC(O)C=CCCCCCCCCCCOCC(=O)O
InChIInChI=1S/C19H36O4/c1-2-3-14-18(20)15-12-10-8-6-4-5-7-9-11-13-16-23-17-19(21)22/h12,15,18,20H,2-11,13-14,16-17H2,1H3,(H,21,22)
InChIKeyUTFSXZCNZCINSA-UHFFFAOYSA-N
XLogP4.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
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

2-dodec-8-enoxyacetic acid
CID 175547698
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269
sodium;2-decoxyacetic acid;hydride
CID 173154900
sodium;2-dodecoxyacetic acid;hydride
CID 173155180
henicos-7-en-6-ol
CID 91409967
(17R)-17-hydroxyhenicosa-6,15-dien-2-one
CID 90814497
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678

Frequently Asked Questions

What is the IUPAC name of 2-(13-hydroxyheptadec-11-enoxy)acetic acid?
The IUPAC name of 2-(13-hydroxyheptadec-11-enoxy)acetic acid (CID 86215708) is 2-(13-hydroxyheptadec-11-enoxy)acetic acid.
What is the SMILES notation for 2-(13-hydroxyheptadec-11-enoxy)acetic acid?
The canonical SMILES for 2-(13-hydroxyheptadec-11-enoxy)acetic acid is CCCCC(O)C=CCCCCCCCCCCOCC(=O)O.
What is the InChIKey of 2-(13-hydroxyheptadec-11-enoxy)acetic acid?
The InChIKey is UTFSXZCNZCINSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-2-3-14-18(20)15-12-10-8-6-4-5-7-9-11-13-16-23-17-19(21)22/h12,15,18,20H,2-11,13-14,16-17H2,1H3,(H,21,22).
What are the key properties of 2-(13-hydroxyheptadec-11-enoxy)acetic acid?
2-(13-hydroxyheptadec-11-enoxy)acetic acid has a molecular weight of 328.49 g/mol, XLogP of 4.71, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(13-hydroxyheptadec-11-enoxy)acetic acid is sourced from PubChem (CID 86215708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).