6,8-dimethyltetradeca-6,7-dien-1,13-diyne

C16H22 — CID 10900010

IUPAC6,8-dimethyltetradeca-6,7-dien-1,13-diyne
SMILESC#CCCCCC(C)=C=C(C)CCCC#C
InChIInChI=1S/C16H22/c1-5-7-9-11-13-16(4)14-15(3)12-10-8-6-2/h1-2H,7-13H2,3-4H3
InChIKeyRQRUEHHFCQKULF-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.47
Rot. Bonds7

About 6,8-dimethyltetradeca-6,7-dien-1,13-diyne

6,8-dimethyltetradeca-6,7-dien-1,13-diyne (PubChem CID 10900010) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 6,8-dimethyltetradeca-6,7-dien-1,13-diyne.

Molecular Properties

Compound Name6,8-dimethyltetradeca-6,7-dien-1,13-diyne
PubChem CID10900010
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name6,8-dimethyltetradeca-6,7-dien-1,13-diyne
SMILESC#CCCCCC(C)=C=C(C)CCCC#C
InChIInChI=1S/C16H22/c1-5-7-9-11-13-16(4)14-15(3)12-10-8-6-2/h1-2H,7-13H2,3-4H3
InChIKeyRQRUEHHFCQKULF-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Pentadecyne, 9-methylene-
CID 11816883
1-Nonyne, 3-methylene-
CID 11018929
3-Methylideneoct-1-yne
CID 12939487
5,6-Decadien-3-yne, 5,7-diethyl-
CID 595131
3,14-Dimethylidenehexadeca-1,15-diyne
CID 10490381
3,15-Dimethylideneheptadeca-1,16-diyne
CID 10491337
6-Ethenylidenedec-1-yne
CID 10678566
3,16-Dimethylideneoctadeca-1,17-diyne
CID 10683495
3,12-Dimethylidenetetradeca-1,13-diyne
CID 10798699
3,13-Dimethylidenepentadeca-1,14-diyne
CID 10846984
14-Methylpentadeca-12,13-dien-1,7-diyne
CID 11117411
(7Z)-7,8-dimethyl-7-tetradecene-1,13-diyne
CID 13356668

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyltetradeca-6,7-dien-1,13-diyne?
The IUPAC name of 6,8-dimethyltetradeca-6,7-dien-1,13-diyne (CID 10900010) is 6,8-dimethyltetradeca-6,7-dien-1,13-diyne.
What is the SMILES notation for 6,8-dimethyltetradeca-6,7-dien-1,13-diyne?
The canonical SMILES for 6,8-dimethyltetradeca-6,7-dien-1,13-diyne is C#CCCCCC(C)=C=C(C)CCCC#C.
What is the InChIKey of 6,8-dimethyltetradeca-6,7-dien-1,13-diyne?
The InChIKey is RQRUEHHFCQKULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-5-7-9-11-13-16(4)14-15(3)12-10-8-6-2/h1-2H,7-13H2,3-4H3.
What are the key properties of 6,8-dimethyltetradeca-6,7-dien-1,13-diyne?
6,8-dimethyltetradeca-6,7-dien-1,13-diyne has a molecular weight of 214.35 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyltetradeca-6,7-dien-1,13-diyne is sourced from PubChem (CID 10900010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).