1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane

C14H30O — CID 170705000

IUPAC1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane
SMILESCC(C)C(C)(C)CCOC(C)(C)C(C)C
InChIInChI=1S/C14H30O/c1-11(2)13(5,6)9-10-15-14(7,8)12(3)4/h11-12H,9-10H2,1-8H3
InChIKeyOSXUZLBTLHOWIW-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.51
Rot. Bonds6

About 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane

1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane (PubChem CID 170705000) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane
PubChem CID170705000
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane
SMILESCC(C)C(C)(C)CCOC(C)(C)C(C)C
InChIInChI=1S/C14H30O/c1-11(2)13(5,6)9-10-15-14(7,8)12(3)4/h11-12H,9-10H2,1-8H3
InChIKeyOSXUZLBTLHOWIW-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethoxy-2,4,4-trimethylpentane
CID 22274771
2,3-Dimethyl-2-(1,2,2-trimethylpropyl)oxirane
CID 5743700
2,3-Dimethyl-2-(1,1,2-trimethylpropyl)oxirane
CID 5743702
4-tert-butyltetrahydro-2H-pyran
CID 13451149
2,2,3,3-Tetramethyloxolane
CID 21939660
Di-i-propylather
CID 54126037
3-Fluoro-2,2,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]pentane
CID 57890233
2-(2-Fluoroethoxy)-2,3,3-trimethylpentane
CID 130457073
2,3,3-Trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane
CID 138702489
3,3,4-Trimethyl-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypentane
CID 153375534
3,3,4-Trimethyl-1-(3,3,4,4,4-pentafluoro-2-methylbutan-2-yl)oxypentane
CID 156279166
3,3,4-Trimethyl-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypentane
CID 156279230

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane?
The IUPAC name of 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane (CID 170705000) is 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane is CC(C)C(C)(C)CCOC(C)(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane?
The InChIKey is OSXUZLBTLHOWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-11(2)13(5,6)9-10-15-14(7,8)12(3)4/h11-12H,9-10H2,1-8H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane?
1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane has a molecular weight of 214.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yloxy)-3,3,4-trimethylpentane is sourced from PubChem (CID 170705000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).