1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol

C20H42O2 — CID 146553974

IUPAC1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol
SMILESCC(C)CCCCCCCCCCC(C)(C)OCC(C)(C)O
InChIInChI=1S/C20H42O2/c1-18(2)15-13-11-9-7-8-10-12-14-16-20(5,6)22-17-19(3,4)21/h18,21H,7-17H2,1-6H3
InChIKeyITFCLUZQHOBLFN-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.11
Rot. Bonds14

About 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol

1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol (PubChem CID 146553974) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol
PubChem CID146553974
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol
SMILESCC(C)CCCCCCCCCCC(C)(C)OCC(C)(C)O
InChIInChI=1S/C20H42O2/c1-18(2)15-13-11-9-7-8-10-12-14-16-20(5,6)22-17-19(3,4)21/h18,21H,7-17H2,1-6H3
InChIKeyITFCLUZQHOBLFN-UHFFFAOYSA-N
XLogP6.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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10-methyl-4-propylundecan-4-ol
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1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
2,22-dimethyltricosane
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2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
methyl 8-methyl-2-(6-methylheptyl)-2-methylsulfanylnonanoate
CID 21279162
2,2,7,13-tetramethyltetradecane
CID 164934007
1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol
CID 134385792
8-methyl-2-sulfanylnonane-1,2-diol
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CID 118887775

Frequently Asked Questions

What is the IUPAC name of 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol (CID 146553974) is 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol is CC(C)CCCCCCCCCCC(C)(C)OCC(C)(C)O.
What is the InChIKey of 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol?
The InChIKey is ITFCLUZQHOBLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-18(2)15-13-11-9-7-8-10-12-14-16-20(5,6)22-17-19(3,4)21/h18,21H,7-17H2,1-6H3.
What are the key properties of 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol?
1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol has a molecular weight of 314.55 g/mol, XLogP of 6.11, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol is sourced from PubChem (CID 146553974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).