2-methyl-1-(2-methylbutoxy)butane

C10H22O — CID 4584641

IUPAC2-methyl-1-(2-methylbutoxy)butane
SMILESCCC(C)COCC(C)CC
InChIInChI=1S/C10H22O/c1-5-9(3)7-11-8-10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyLTGKJZSYWAITRI-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.10
Rot. Bonds6

About 2-methyl-1-(2-methylbutoxy)butane

2-methyl-1-(2-methylbutoxy)butane (PubChem CID 4584641) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbutoxy)butane.

Molecular Properties

Compound Name2-methyl-1-(2-methylbutoxy)butane
PubChem CID4584641
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-methyl-1-(2-methylbutoxy)butane
SMILESCCC(C)COCC(C)CC
InChIInChI=1S/C10H22O/c1-5-9(3)7-11-8-10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKeyLTGKJZSYWAITRI-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylbutoxymethanethiol
CID 129171178
methane;1-methoxy-2-methylbutane
CID 159281556
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide
CID 140645519
1,2-bis(2-methylbutoxy)hexane
CID 71465095
[2-methylbutoxymethoxy(phosphanyl)methyl]phosphane
CID 58625661
(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103
N-[2-(2-methylbutoxy)ethyl]propan-2-amine
CID 62342211
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
2-methyl-1-pentan-3-yloxybutane
CID 23377308
methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312
2,5-dimethylheptoxymethanol
CID 88543296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbutoxy)butane?
The IUPAC name of 2-methyl-1-(2-methylbutoxy)butane (CID 4584641) is 2-methyl-1-(2-methylbutoxy)butane.
What is the SMILES notation for 2-methyl-1-(2-methylbutoxy)butane?
The canonical SMILES for 2-methyl-1-(2-methylbutoxy)butane is CCC(C)COCC(C)CC.
What is the InChIKey of 2-methyl-1-(2-methylbutoxy)butane?
The InChIKey is LTGKJZSYWAITRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-9(3)7-11-8-10(4)6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylbutoxy)butane?
2-methyl-1-(2-methylbutoxy)butane has a molecular weight of 158.28 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylbutoxy)butane is sourced from PubChem (CID 4584641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).