2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane

C14H30O — CID 91752495

IUPAC2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane
SMILESCC(C)(C)CCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-12(2,3)9-10-15-14(7,8)11-13(4,5)6/h9-11H2,1-8H3
InChIKeyCFYGAKVQHADXFE-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.65
Rot. Bonds4

About 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane

2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane (PubChem CID 91752495) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane
PubChem CID91752495
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane
SMILESCC(C)(C)CCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-12(2,3)9-10-15-14(7,8)11-13(4,5)6/h9-11H2,1-8H3
InChIKeyCFYGAKVQHADXFE-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane?
The IUPAC name of 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane (CID 91752495) is 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane is CC(C)(C)CCOC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane?
The InChIKey is CFYGAKVQHADXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-12(2,3)9-10-15-14(7,8)11-13(4,5)6/h9-11H2,1-8H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane?
2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane has a molecular weight of 214.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-2,4,4-trimethylpentane is sourced from PubChem (CID 91752495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).