10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane

C19H36O — CID 150438114

IUPAC10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane
SMILESC#CC(C)(CC)OCCCCCCCCCC(C)(C)C
InChIInChI=1S/C19H36O/c1-7-19(6,8-2)20-17-15-13-11-9-10-12-14-16-18(3,4)5/h1H,8-17H2,2-6H3
InChIKeyHLESVOAIIXEUFN-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.97
Rot. Bonds11

About 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane

10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane (PubChem CID 150438114) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane.

Molecular Properties

Compound Name10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane
PubChem CID150438114
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane
SMILESC#CC(C)(CC)OCCCCCCCCCC(C)(C)C
InChIInChI=1S/C19H36O/c1-7-19(6,8-2)20-17-15-13-11-9-10-12-14-16-18(3,4)5/h1H,8-17H2,2-6H3
InChIKeyHLESVOAIIXEUFN-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.97
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

7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
9,9-dimethyldec-1-yne
CID 169300385
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol
CID 12813395
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
1-butoxy-5,5-dimethylhexane
CID 134574772
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane?
The IUPAC name of 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane (CID 150438114) is 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane.
What is the SMILES notation for 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane?
The canonical SMILES for 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane is C#CC(C)(CC)OCCCCCCCCCC(C)(C)C.
What is the InChIKey of 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane?
The InChIKey is HLESVOAIIXEUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-7-19(6,8-2)20-17-15-13-11-9-10-12-14-16-18(3,4)5/h1H,8-17H2,2-6H3.
What are the key properties of 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane?
10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane has a molecular weight of 280.50 g/mol, XLogP of 5.97, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-1-(3-methylpent-1-yn-3-yloxy)undecane is sourced from PubChem (CID 150438114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).