2,2-dimethyl-1-(2-methylpropoxy)pentane

C11H24O — CID 88914355

IUPAC2,2-dimethyl-1-(2-methylpropoxy)pentane
SMILESCCCC(C)(C)COCC(C)C
InChIInChI=1S/C11H24O/c1-6-7-11(4,5)9-12-8-10(2)3/h10H,6-9H2,1-5H3
InChIKeyXAYRUWWSFJOBDG-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.49
Rot. Bonds6

About 2,2-dimethyl-1-(2-methylpropoxy)pentane

2,2-dimethyl-1-(2-methylpropoxy)pentane (PubChem CID 88914355) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylpropoxy)pentane.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylpropoxy)pentane
PubChem CID88914355
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,2-dimethyl-1-(2-methylpropoxy)pentane
SMILESCCCC(C)(C)COCC(C)C
InChIInChI=1S/C11H24O/c1-6-7-11(4,5)9-12-8-10(2)3/h10H,6-9H2,1-5H3
InChIKeyXAYRUWWSFJOBDG-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-2-(2-methylpropoxymethoxy)heptane
CID 123327281
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
N,2,2-trimethyl-3-(2-methylpropoxy)propan-1-amine
CID 79620527
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
1-methoxy-2,2-dimethylpentane
CID 57120820
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
1-bromo-2-methyl-2-(2-methylpropoxymethyl)butane
CID 165447149
4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 178168451
ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate
CID 165462467
3,3-bis(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459822
4,4-dimethyl-2-propan-2-yloxyheptane
CID 123988910
4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
CID 153290238

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylpropoxy)pentane?
The IUPAC name of 2,2-dimethyl-1-(2-methylpropoxy)pentane (CID 88914355) is 2,2-dimethyl-1-(2-methylpropoxy)pentane.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylpropoxy)pentane?
The canonical SMILES for 2,2-dimethyl-1-(2-methylpropoxy)pentane is CCCC(C)(C)COCC(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylpropoxy)pentane?
The InChIKey is XAYRUWWSFJOBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-7-11(4,5)9-12-8-10(2)3/h10H,6-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(2-methylpropoxy)pentane?
2,2-dimethyl-1-(2-methylpropoxy)pentane has a molecular weight of 172.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylpropoxy)pentane is sourced from PubChem (CID 88914355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).