methyl hexadeca-8,10-dien-6,14-diynoate

C17H22O2 — CID 91509598

IUPACmethyl hexadeca-8,10-dien-6,14-diynoate
SMILESCC#CCCC=CC=CC#CCCCCC(=O)OC
InChIInChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h7-10H,5-6,13-16H2,1-2H3
InChIKeyGFWKGKMWVYXOJK-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.64
Rot. Bonds7

About methyl hexadeca-8,10-dien-6,14-diynoate

methyl hexadeca-8,10-dien-6,14-diynoate (PubChem CID 91509598) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl hexadeca-8,10-dien-6,14-diynoate.

Molecular Properties

Compound Namemethyl hexadeca-8,10-dien-6,14-diynoate
PubChem CID91509598
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Namemethyl hexadeca-8,10-dien-6,14-diynoate
SMILESCC#CCCC=CC=CC#CCCCCC(=O)OC
InChIInChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h7-10H,5-6,13-16H2,1-2H3
InChIKeyGFWKGKMWVYXOJK-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (11Z,13E)-octadeca-11,13-dien-9-ynoate
CID 177446040
methyl (Z)-octadec-9-en-11-ynoate
CID 59455308
methyl (Z)-octadec-11-en-9,13-diynoate
CID 14921637
methyl (Z)-octadec-7-en-11-ynoate
CID 131856280
methyl 12-oxododec-8-ynoate
CID 131858509
methyl octadeca-7,9,16-trien-11,13-diynoate
CID 162789825
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
dimethyl (E)-dec-4-en-6-ynedioate
CID 102239978
dimethyl docosa-10,12-diynedioate;dimethyl tridecanedioate
CID 91139950
[(E)-non-5-en-7-ynyl] pentadec-13-ynoate
CID 177475657
methyl (9E,11E)-hexadeca-9,11-dienoate
CID 175988172
methyl hexadeca-9,11-dienoate
CID 71381501

Frequently Asked Questions

What is the IUPAC name of methyl hexadeca-8,10-dien-6,14-diynoate?
The IUPAC name of methyl hexadeca-8,10-dien-6,14-diynoate (CID 91509598) is methyl hexadeca-8,10-dien-6,14-diynoate.
What is the SMILES notation for methyl hexadeca-8,10-dien-6,14-diynoate?
The canonical SMILES for methyl hexadeca-8,10-dien-6,14-diynoate is CC#CCCC=CC=CC#CCCCCC(=O)OC.
What is the InChIKey of methyl hexadeca-8,10-dien-6,14-diynoate?
The InChIKey is GFWKGKMWVYXOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h7-10H,5-6,13-16H2,1-2H3.
What are the key properties of methyl hexadeca-8,10-dien-6,14-diynoate?
methyl hexadeca-8,10-dien-6,14-diynoate has a molecular weight of 258.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hexadeca-8,10-dien-6,14-diynoate is sourced from PubChem (CID 91509598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).