9,9-dimethylhexadec-7-en-1,15-diyne

C18H28 — CID 91107340

IUPAC9,9-dimethylhexadec-7-en-1,15-diyne
SMILESC#CCCCCC=CC(C)(C)CCCCCC#C
InChIInChI=1S/C18H28/c1-5-7-9-11-13-15-17-18(3,4)16-14-12-10-8-6-2/h1-2,15,17H,7-14,16H2,3-4H3
InChIKeyJIQFJXMENKWKRH-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.35
Rot. Bonds10

About 9,9-dimethylhexadec-7-en-1,15-diyne

9,9-dimethylhexadec-7-en-1,15-diyne (PubChem CID 91107340) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 9,9-dimethylhexadec-7-en-1,15-diyne.

Molecular Properties

Compound Name9,9-dimethylhexadec-7-en-1,15-diyne
PubChem CID91107340
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name9,9-dimethylhexadec-7-en-1,15-diyne
SMILESC#CCCCCC=CC(C)(C)CCCCCC#C
InChIInChI=1S/C18H28/c1-5-7-9-11-13-15-17-18(3,4)16-14-12-10-8-6-2/h1-2,15,17H,7-14,16H2,3-4H3
InChIKeyJIQFJXMENKWKRH-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(z)-18,18-Dimethylnonadec-9-ene
CID 58681653
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CID 138480385
(6E)-5-butyl-12-fluoro-5,7-dimethyldodeca-1,6-dien-8-yne
CID 167192669
1-(3,3-Dimethyl-cyclohex-1-en-1-yl)-pent-4-en-1-yne
CID 20569415
1,3,3-trimethyl-2-[(E)-3-methylpent-2-en-4-ynyl]cyclohexene
CID 71502323
2-[(E)-3,7-dimethylnon-1-en-4,8-diynyl]-1,3,3-trimethylcyclohexene
CID 166449506
1,3,3-trimethyl-2-[(1E,3E,5E)-3-methylocta-1,3,5-trien-7-ynyl]cyclohexene
CID 11356891
5,19-Pentamethylicosene
CID 129723991
2-[(3E,7E)-3,7-dimethyldodeca-3,7-dien-11-ynyl]-1,3,3-trimethylcyclohexene
CID 134886637
1,3,3-trimethyl-2-[(E)-3-methyloct-3-en-7-ynyl]cyclohexene
CID 134897750
(1Z)-5,5,8,8-tetramethylcyclododecene
CID 134980225

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylhexadec-7-en-1,15-diyne?
The IUPAC name of 9,9-dimethylhexadec-7-en-1,15-diyne (CID 91107340) is 9,9-dimethylhexadec-7-en-1,15-diyne.
What is the SMILES notation for 9,9-dimethylhexadec-7-en-1,15-diyne?
The canonical SMILES for 9,9-dimethylhexadec-7-en-1,15-diyne is C#CCCCCC=CC(C)(C)CCCCCC#C.
What is the InChIKey of 9,9-dimethylhexadec-7-en-1,15-diyne?
The InChIKey is JIQFJXMENKWKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-5-7-9-11-13-15-17-18(3,4)16-14-12-10-8-6-2/h1-2,15,17H,7-14,16H2,3-4H3.
What are the key properties of 9,9-dimethylhexadec-7-en-1,15-diyne?
9,9-dimethylhexadec-7-en-1,15-diyne has a molecular weight of 244.42 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylhexadec-7-en-1,15-diyne is sourced from PubChem (CID 91107340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).