11-[(2-methylpropan-2-yl)oxy]undec-1-yne

C15H28O — CID 15673920

IUPAC11-[(2-methylpropan-2-yl)oxy]undec-1-yne
SMILESC#CCCCCCCCCCOC(C)(C)C
InChIInChI=1S/C15H28O/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h1H,6-14H2,2-4H3
InChIKeyIGJAQRFOYGFQQY-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.56
Rot. Bonds9

About 11-[(2-methylpropan-2-yl)oxy]undec-1-yne

11-[(2-methylpropan-2-yl)oxy]undec-1-yne (PubChem CID 15673920) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 11-[(2-methylpropan-2-yl)oxy]undec-1-yne.

Molecular Properties

Compound Name11-[(2-methylpropan-2-yl)oxy]undec-1-yne
PubChem CID15673920
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name11-[(2-methylpropan-2-yl)oxy]undec-1-yne
SMILESC#CCCCCCCCCCOC(C)(C)C
InChIInChI=1S/C15H28O/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h1H,6-14H2,2-4H3
InChIKeyIGJAQRFOYGFQQY-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

10-(2-methoxypropan-2-yloxy)dec-1-yne
CID 13111880
6-(2-methoxypropan-2-yloxy)hex-1-yne
CID 88653043
12-[(2-methylpropan-2-yl)oxy]dodec-2-yne
CID 11053728
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
9,9-dimethyldec-1-yne
CID 169300385
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
11-hexoxyundec-1-yne
CID 89349998
tert-butyl undec-10-ynoate
CID 134894992
tert-butyl oct-7-ynoate
CID 162776482

Frequently Asked Questions

What is the IUPAC name of 11-[(2-methylpropan-2-yl)oxy]undec-1-yne?
The IUPAC name of 11-[(2-methylpropan-2-yl)oxy]undec-1-yne (CID 15673920) is 11-[(2-methylpropan-2-yl)oxy]undec-1-yne.
What is the SMILES notation for 11-[(2-methylpropan-2-yl)oxy]undec-1-yne?
The canonical SMILES for 11-[(2-methylpropan-2-yl)oxy]undec-1-yne is C#CCCCCCCCCCOC(C)(C)C.
What is the InChIKey of 11-[(2-methylpropan-2-yl)oxy]undec-1-yne?
The InChIKey is IGJAQRFOYGFQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h1H,6-14H2,2-4H3.
What are the key properties of 11-[(2-methylpropan-2-yl)oxy]undec-1-yne?
11-[(2-methylpropan-2-yl)oxy]undec-1-yne has a molecular weight of 224.39 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-methylpropan-2-yl)oxy]undec-1-yne is sourced from PubChem (CID 15673920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).