heptadeca-1,8-dien-11,13-diyne

C17H24 — CID 163026206

IUPACheptadeca-1,8-dien-11,13-diyne
SMILESC=CCCCCCC=CCC#CC#CCCC
InChIInChI=1S/C17H24/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-7,9,11,13,16H2,2H3
InChIKeySNUOSFBMEJMULV-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.88
Rot. Bonds8

About heptadeca-1,8-dien-11,13-diyne

heptadeca-1,8-dien-11,13-diyne (PubChem CID 163026206) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is heptadeca-1,8-dien-11,13-diyne.

Molecular Properties

Compound Nameheptadeca-1,8-dien-11,13-diyne
PubChem CID163026206
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameheptadeca-1,8-dien-11,13-diyne
SMILESC=CCCCCCC=CCC#CC#CCCC
InChIInChI=1S/C17H24/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-7,9,11,13,16H2,2H3
InChIKeySNUOSFBMEJMULV-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.88
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

(E)-4-Undecene
CID 5358315
7-Tetradecene
CID 5364651
1,8,11-Heptadecatriene, (Z,Z)-
CID 5352709
Aplotaxene
CID 5352710
1,4-Undecadiene
CID 5358328
6-Tridecene, (6Z)-
CID 5356954
2-Nonene, (2Z)-
CID 5364455
2-Nonene, (2E)-
CID 5364590
(Z)-5-Dodecene
CID 5364658
Tetradec-7-ene
CID 25209
1,8,11,14-Heptadecatetraene
CID 5319559
cis-3-Decene
CID 5362723

Frequently Asked Questions

What is the IUPAC name of heptadeca-1,8-dien-11,13-diyne?
The IUPAC name of heptadeca-1,8-dien-11,13-diyne (CID 163026206) is heptadeca-1,8-dien-11,13-diyne.
What is the SMILES notation for heptadeca-1,8-dien-11,13-diyne?
The canonical SMILES for heptadeca-1,8-dien-11,13-diyne is C=CCCCCCC=CCC#CC#CCCC.
What is the InChIKey of heptadeca-1,8-dien-11,13-diyne?
The InChIKey is SNUOSFBMEJMULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-7,9,11,13,16H2,2H3.
What are the key properties of heptadeca-1,8-dien-11,13-diyne?
heptadeca-1,8-dien-11,13-diyne has a molecular weight of 228.38 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,8-dien-11,13-diyne is sourced from PubChem (CID 163026206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).