(Z)-2-methoxypentadec-2-enoic acid

C16H30O3 — CID 87404776

IUPAC(Z)-2-methoxypentadec-2-enoic acid
SMILESCCCCCCCCCCCC/C=C(\OC)C(=O)O
InChIInChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(19-2)16(17)18/h14H,3-13H2,1-2H3,(H,17,18)/b15-14-
InChIKeyZLFBIDQFNLNIFP-PFONDFGASA-N
MW270.41 g/mol
LogP4.91
Rot. Bonds13

About (Z)-2-methoxypentadec-2-enoic acid

(Z)-2-methoxypentadec-2-enoic acid (PubChem CID 87404776) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (Z)-2-methoxypentadec-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-methoxypentadec-2-enoic acid
PubChem CID87404776
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(Z)-2-methoxypentadec-2-enoic acid
SMILESCCCCCCCCCCCC/C=C(\OC)C(=O)O
InChIInChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(19-2)16(17)18/h14H,3-13H2,1-2H3,(H,17,18)/b15-14-
InChIKeyZLFBIDQFNLNIFP-PFONDFGASA-N
XLogP4.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methoxyhept-2-enoic acid
CID 87190436
2-acetyloxyhexadec-2-enoic acid
CID 161169864
2-acetyloxydec-2-enoic acid
CID 54342046
2-nonadecylidenepropanedioic acid
CID 19832661
2-phenoxydodec-2-enoic acid
CID 67926772
2-octadecylidenebutanedioic acid
CID 141239026
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
methyl (E)-2-ethyldec-2-enoate
CID 25232141
(E)-2-(2-methoxyethyl)dec-2-enoic acid
CID 174791406
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxypentadec-2-enoic acid?
The IUPAC name of (Z)-2-methoxypentadec-2-enoic acid (CID 87404776) is (Z)-2-methoxypentadec-2-enoic acid.
What is the SMILES notation for (Z)-2-methoxypentadec-2-enoic acid?
The canonical SMILES for (Z)-2-methoxypentadec-2-enoic acid is CCCCCCCCCCCC/C=C(\OC)C(=O)O.
What is the InChIKey of (Z)-2-methoxypentadec-2-enoic acid?
The InChIKey is ZLFBIDQFNLNIFP-PFONDFGASA-N. The full InChI is InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(19-2)16(17)18/h14H,3-13H2,1-2H3,(H,17,18)/b15-14-.
What are the key properties of (Z)-2-methoxypentadec-2-enoic acid?
(Z)-2-methoxypentadec-2-enoic acid has a molecular weight of 270.41 g/mol, XLogP of 4.91, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxypentadec-2-enoic acid is sourced from PubChem (CID 87404776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).