2-methoxy-2,3,3-trimethylpentane

C9H20O — CID 20670137

IUPAC2-methoxy-2,3,3-trimethylpentane
SMILESCCC(C)(C)C(C)(C)OC
InChIInChI=1S/C9H20O/c1-7-8(2,3)9(4,5)10-6/h7H2,1-6H3
InChIKeyKFBXBZJEVXZQJF-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds3

About 2-methoxy-2,3,3-trimethylpentane

2-methoxy-2,3,3-trimethylpentane (PubChem CID 20670137) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-methoxy-2,3,3-trimethylpentane.

Molecular Properties

Compound Name2-methoxy-2,3,3-trimethylpentane
PubChem CID20670137
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-methoxy-2,3,3-trimethylpentane
SMILESCCC(C)(C)C(C)(C)OC
InChIInChI=1S/C9H20O/c1-7-8(2,3)9(4,5)10-6/h7H2,1-6H3
InChIKeyKFBXBZJEVXZQJF-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-2,4,4-trimethylpentane
CID 552215
3-Methoxy-3-methylhexane
CID 560189
2,2-Ditert-butyloxirane
CID 329399
2-Ethoxy-2,4,4-trimethylpentane
CID 22274771
3-Methoxy-2,3,4-trimethylpentane
CID 23384955
2-(Difluoromethoxy)-2,3,3-trimethylpentane
CID 89703130
2-(2-Fluoroethoxy)-2,3,3-trimethylpentane
CID 130457073
Propyl tert-octyl ether
CID 85815230
Butyl tert-octyl ether
CID 86174215
3,3-Dimethylbutyl tert-octyl ether
CID 91752495
Butane, 2-methoxy-2,3,3-trimethyl-
CID 551992
2-Methoxy-2,3,5,5-tetramethylhexane
CID 12756032

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3,3-trimethylpentane?
The IUPAC name of 2-methoxy-2,3,3-trimethylpentane (CID 20670137) is 2-methoxy-2,3,3-trimethylpentane.
What is the SMILES notation for 2-methoxy-2,3,3-trimethylpentane?
The canonical SMILES for 2-methoxy-2,3,3-trimethylpentane is CCC(C)(C)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2,3,3-trimethylpentane?
The InChIKey is KFBXBZJEVXZQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-7-8(2,3)9(4,5)10-6/h7H2,1-6H3.
What are the key properties of 2-methoxy-2,3,3-trimethylpentane?
2-methoxy-2,3,3-trimethylpentane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3,3-trimethylpentane is sourced from PubChem (CID 20670137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).