methyl 9-hydroxyhexadec-7-enoate

C17H32O3 — CID 73069311

IUPACmethyl 9-hydroxyhexadec-7-enoate
SMILESCCCCCCCC(O)C=CCCCCCC(=O)OC
InChIInChI=1S/C17H32O3/c1-3-4-5-7-10-13-16(18)14-11-8-6-9-12-15-17(19)20-2/h11,14,16,18H,3-10,12-13,15H2,1-2H3
InChIKeyXLKSNFSYVVNCEH-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.39
Rot. Bonds13

About methyl 9-hydroxyhexadec-7-enoate

methyl 9-hydroxyhexadec-7-enoate (PubChem CID 73069311) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 9-hydroxyhexadec-7-enoate.

Molecular Properties

Compound Namemethyl 9-hydroxyhexadec-7-enoate
PubChem CID73069311
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Namemethyl 9-hydroxyhexadec-7-enoate
SMILESCCCCCCCC(O)C=CCCCCCC(=O)OC
InChIInChI=1S/C17H32O3/c1-3-4-5-7-10-13-16(18)14-11-8-6-9-12-15-17(19)20-2/h11,14,16,18H,3-10,12-13,15H2,1-2H3
InChIKeyXLKSNFSYVVNCEH-UHFFFAOYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.39
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

methyl (5Z,14Z,16R)-16-hydroxyicosa-5,14-dienoate
CID 59063224
methyl (9E,11E,13S)-13-hydroxyoctacosa-9,11-dienoate
CID 101242423
methyl (9E,11E,13R)-13-hydroxyoctadeca-9,11-dienoate
CID 35027784
methyl (E,12R,15S)-12,15-dihydroxydocos-13-enoate
CID 10022931
methyl (Z)-8-hydroperoxyoctadec-9-enoate
CID 13357351
methyl (Z,16R)-16-hydroxyicos-14-en-5-ynoate
CID 59098327
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503

Frequently Asked Questions

What is the IUPAC name of methyl 9-hydroxyhexadec-7-enoate?
The IUPAC name of methyl 9-hydroxyhexadec-7-enoate (CID 73069311) is methyl 9-hydroxyhexadec-7-enoate.
What is the SMILES notation for methyl 9-hydroxyhexadec-7-enoate?
The canonical SMILES for methyl 9-hydroxyhexadec-7-enoate is CCCCCCCC(O)C=CCCCCCC(=O)OC.
What is the InChIKey of methyl 9-hydroxyhexadec-7-enoate?
The InChIKey is XLKSNFSYVVNCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-3-4-5-7-10-13-16(18)14-11-8-6-9-12-15-17(19)20-2/h11,14,16,18H,3-10,12-13,15H2,1-2H3.
What are the key properties of methyl 9-hydroxyhexadec-7-enoate?
methyl 9-hydroxyhexadec-7-enoate has a molecular weight of 284.44 g/mol, XLogP of 4.39, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-hydroxyhexadec-7-enoate is sourced from PubChem (CID 73069311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).