3-(2,2-dimethylpropoxy)-2,2-dimethyldecane

C17H36O — CID 141041946

IUPAC3-(2,2-dimethylpropoxy)-2,2-dimethyldecane
SMILESCCCCCCCC(OCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36O/c1-8-9-10-11-12-13-15(17(5,6)7)18-14-16(2,3)4/h15H,8-14H2,1-7H3
InChIKeyNBKKGYJGDDGTFS-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.82
Rot. Bonds8

About 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane

3-(2,2-dimethylpropoxy)-2,2-dimethyldecane (PubChem CID 141041946) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane.

Molecular Properties

Compound Name3-(2,2-dimethylpropoxy)-2,2-dimethyldecane
PubChem CID141041946
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name3-(2,2-dimethylpropoxy)-2,2-dimethyldecane
SMILESCCCCCCCC(OCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36O/c1-8-9-10-11-12-13-15(17(5,6)7)18-14-16(2,3)4/h15H,8-14H2,1-7H3
InChIKeyNBKKGYJGDDGTFS-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3-ethoxy-2-methylnonan-2-yl)silane
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3-(2,2-dimethylpropoxy)heptane
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(3-methoxy-2-methylnonadecan-2-yl)silane
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9,13-dimethoxy-10,10,12,12-tetramethylhenicosane
CID 152569510
3-decoxy-2,2-dimethyltridecan-1-ol
CID 175424630
2,2,3-trimethylundecane
CID 21285055
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
2,2-dimethyl-3-pentoxypentane
CID 23119504
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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane?
The IUPAC name of 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane (CID 141041946) is 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane.
What is the SMILES notation for 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane?
The canonical SMILES for 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane is CCCCCCCC(OCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane?
The InChIKey is NBKKGYJGDDGTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-8-9-10-11-12-13-15(17(5,6)7)18-14-16(2,3)4/h15H,8-14H2,1-7H3.
What are the key properties of 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane?
3-(2,2-dimethylpropoxy)-2,2-dimethyldecane has a molecular weight of 256.47 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropoxy)-2,2-dimethyldecane is sourced from PubChem (CID 141041946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).