4,5,10-triethyldodeca-5,6-dien-1,11-diyne

C18H26 — CID 57170086

IUPAC4,5,10-triethyldodeca-5,6-dien-1,11-diyne
SMILESC#CCC(CC)C(=C=CCCC(C#C)CC)CC
InChIInChI=1S/C18H26/c1-6-13-17(9-4)18(10-5)15-12-11-14-16(7-2)8-3/h1-2,12,16-17H,8-11,13-14H2,3-5H3
InChIKeyPMOJZDHDKQSPHW-UHFFFAOYSA-N
MW242.41 g/mol
LogP4.97
Rot. Bonds8

About 4,5,10-triethyldodeca-5,6-dien-1,11-diyne

4,5,10-triethyldodeca-5,6-dien-1,11-diyne (PubChem CID 57170086) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4,5,10-triethyldodeca-5,6-dien-1,11-diyne.

Molecular Properties

Compound Name4,5,10-triethyldodeca-5,6-dien-1,11-diyne
PubChem CID57170086
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name4,5,10-triethyldodeca-5,6-dien-1,11-diyne
SMILESC#CCC(CC)C(=C=CCCC(C#C)CC)CC
InChIInChI=1S/C18H26/c1-6-13-17(9-4)18(10-5)15-12-11-14-16(7-2)8-3/h1-2,12,16-17H,8-11,13-14H2,3-5H3
InChIKeyPMOJZDHDKQSPHW-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,8-Dimethylnon-7-en-1-yne
CID 10909746
14-Methylpentadeca-12,13-dien-1,7-diyne
CID 11117411
4-Ethynyl-2-methylhept-1-ene
CID 71403483
(4R)-4,8-dimethylnon-7-en-1-yne
CID 100975019
(5S)-5-methyl-3-methylidenehept-1-yne
CID 15744328
5-Ethynyl-2-methyl-7-methylidenenon-1-en-8-yne
CID 18736310
5-Methylnon-1-en-8-yne
CID 54296500
4,5,10-Trimethyldodeca-5,6-dien-1,11-diyne
CID 56984117
5-But-2-ynyldodeca-5,6-dien-1,9-diyne
CID 57210444
(3S,5S)-3,5-dimethyloct-1-en-7-yne
CID 59104646
5-Methyl-3-methylidenehept-1-yne
CID 85447114
6-Methyl-5-methylideneoct-1-yne
CID 90931805

Frequently Asked Questions

What is the IUPAC name of 4,5,10-triethyldodeca-5,6-dien-1,11-diyne?
The IUPAC name of 4,5,10-triethyldodeca-5,6-dien-1,11-diyne (CID 57170086) is 4,5,10-triethyldodeca-5,6-dien-1,11-diyne.
What is the SMILES notation for 4,5,10-triethyldodeca-5,6-dien-1,11-diyne?
The canonical SMILES for 4,5,10-triethyldodeca-5,6-dien-1,11-diyne is C#CCC(CC)C(=C=CCCC(C#C)CC)CC.
What is the InChIKey of 4,5,10-triethyldodeca-5,6-dien-1,11-diyne?
The InChIKey is PMOJZDHDKQSPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-6-13-17(9-4)18(10-5)15-12-11-14-16(7-2)8-3/h1-2,12,16-17H,8-11,13-14H2,3-5H3.
What are the key properties of 4,5,10-triethyldodeca-5,6-dien-1,11-diyne?
4,5,10-triethyldodeca-5,6-dien-1,11-diyne has a molecular weight of 242.41 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10-triethyldodeca-5,6-dien-1,11-diyne is sourced from PubChem (CID 57170086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).