6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne

C16H26O — CID 57254875

IUPAC6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne
SMILESCC#CCCC(C)(C)OC(C)(C)CCC#CC
InChIInChI=1S/C16H26O/c1-7-9-11-13-15(3,4)17-16(5,6)14-12-10-8-2/h11-14H2,1-6H3
InChIKeyQQSCAPXKXVJVTJ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.17
Rot. Bonds6

About 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne

6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne (PubChem CID 57254875) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne.

Molecular Properties

Compound Name6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne
PubChem CID57254875
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne
SMILESCC#CCCC(C)(C)OC(C)(C)CCC#CC
InChIInChI=1S/C16H26O/c1-7-9-11-13-15(3,4)17-16(5,6)14-12-10-8-2/h11-14H2,1-6H3
InChIKeyQQSCAPXKXVJVTJ-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(2-methylpentan-2-yloxy)pentane
CID 12430073
4,7-Dimethoxy-2,4,7,9-tetramethyldec-5-yne
CID 18739321
2-Methyl-2-[(2-methylpropan-2-yl)oxy]pentane
CID 21057550
6-Methyl-6-(2-methylhept-4-yn-2-yloxy)hept-3-yne
CID 56636485
CID 59975572
CID 59975572
CID 60003145
CID 60003145
2,5-Dimethyl-2,5-bis(2-methylpropyl)-3,4-didehydrofuran
CID 87433591
2-Methyl-2-(2-methylbutan-2-yloxy)pentane
CID 89281093
4,4,7-Trimethyl-7-propoxydec-5-yne
CID 91486027
5-Ethoxy-5-methylhex-1-yne
CID 126603890
5-Methoxy-2,5,7-trimethyloct-3-yne
CID 167395451
4-Methoxy-2,4-dimethyldec-5-yne
CID 10013090

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne?
The IUPAC name of 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne (CID 57254875) is 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne.
What is the SMILES notation for 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne?
The canonical SMILES for 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne is CC#CCCC(C)(C)OC(C)(C)CCC#CC.
What is the InChIKey of 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne?
The InChIKey is QQSCAPXKXVJVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-7-9-11-13-15(3,4)17-16(5,6)14-12-10-8-2/h11-14H2,1-6H3.
What are the key properties of 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne?
6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne has a molecular weight of 234.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(2-methylhept-5-yn-2-yloxy)hept-2-yne is sourced from PubChem (CID 57254875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).