4,11-dimethyltetradec-6-yne

C16H30 — CID 134995149

IUPAC4,11-dimethyltetradec-6-yne
SMILESCCCC(C)CC#CCCCC(C)CCC
InChIInChI=1S/C16H30/c1-5-11-15(3)13-9-7-8-10-14-16(4)12-6-2/h15-16H,5-7,9,11-14H2,1-4H3
InChIKeyXNSDAEXPMVETMZ-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds8

About 4,11-dimethyltetradec-6-yne

4,11-dimethyltetradec-6-yne (PubChem CID 134995149) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 4,11-dimethyltetradec-6-yne.

Molecular Properties

Compound Name4,11-dimethyltetradec-6-yne
PubChem CID134995149
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name4,11-dimethyltetradec-6-yne
SMILESCCCC(C)CC#CCCCC(C)CCC
InChIInChI=1S/C16H30/c1-5-11-15(3)13-9-7-8-10-14-16(4)12-6-2/h15-16H,5-7,9,11-14H2,1-4H3
InChIKeyXNSDAEXPMVETMZ-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
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

8-methyltridec-5-yne
CID 173074728
8-methylheptadec-5-yne
CID 22224327
12-methylpentadec-6-yne
CID 142980159
9-methyltridec-5-yne
CID 22224124
18,21-dimethyloctacos-12-yne
CID 22224150
9-methylhexadec-5-yne
CID 22223866
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
5-methyldec-2-yne
CID 123137081
10-methylheptadec-3-yne
CID 22224077
3-methylheptanedinitrile
CID 91621031
4-methylheptane;pentane
CID 142501546

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyltetradec-6-yne?
The IUPAC name of 4,11-dimethyltetradec-6-yne (CID 134995149) is 4,11-dimethyltetradec-6-yne.
What is the SMILES notation for 4,11-dimethyltetradec-6-yne?
The canonical SMILES for 4,11-dimethyltetradec-6-yne is CCCC(C)CC#CCCCC(C)CCC.
What is the InChIKey of 4,11-dimethyltetradec-6-yne?
The InChIKey is XNSDAEXPMVETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-5-11-15(3)13-9-7-8-10-14-16(4)12-6-2/h15-16H,5-7,9,11-14H2,1-4H3.
What are the key properties of 4,11-dimethyltetradec-6-yne?
4,11-dimethyltetradec-6-yne has a molecular weight of 222.42 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyltetradec-6-yne is sourced from PubChem (CID 134995149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).