2-methyl-3-(2-methylpentan-3-yloxy)pentane

C12H26O — CID 22151647

IUPAC2-methyl-3-(2-methylpentan-3-yloxy)pentane
SMILESCCC(OC(CC)C(C)C)C(C)C
InChIInChI=1S/C12H26O/c1-7-11(9(3)4)13-12(8-2)10(5)6/h9-12H,7-8H2,1-6H3
InChIKeyQWLIALGGHXVWJJ-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.87
Rot. Bonds6

About 2-methyl-3-(2-methylpentan-3-yloxy)pentane

2-methyl-3-(2-methylpentan-3-yloxy)pentane (PubChem CID 22151647) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpentan-3-yloxy)pentane.

Molecular Properties

Compound Name2-methyl-3-(2-methylpentan-3-yloxy)pentane
PubChem CID22151647
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2-methyl-3-(2-methylpentan-3-yloxy)pentane
SMILESCCC(OC(CC)C(C)C)C(C)C
InChIInChI=1S/C12H26O/c1-7-11(9(3)4)13-12(8-2)10(5)6/h9-12H,7-8H2,1-6H3
InChIKeyQWLIALGGHXVWJJ-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-4-methylpentane
CID 17820196
3-Methylbutyl 1-methylethyl ether
CID 21894216
2-(Isobutoxy) butane
CID 18739299
2-Ethoxy-2-methylpentane
CID 22000984
(2R,3R)-2,3-di(propan-2-yl)oxirane
CID 12404777
2,3-Bis(1-methylethyl)oxirane
CID 544571
2,3-Dimethyl-2-[(propan-2-yl)oxy]butane
CID 13316174
Methyl-2,2-dimethylethyl ether
CID 13843577
sek.-Butylather
CID 18335282
Isopropylather
CID 18936143
Methyl-isobutyl-ather
CID 19768872
3-Butoxy-2-methylpentane
CID 23119414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpentan-3-yloxy)pentane?
The IUPAC name of 2-methyl-3-(2-methylpentan-3-yloxy)pentane (CID 22151647) is 2-methyl-3-(2-methylpentan-3-yloxy)pentane.
What is the SMILES notation for 2-methyl-3-(2-methylpentan-3-yloxy)pentane?
The canonical SMILES for 2-methyl-3-(2-methylpentan-3-yloxy)pentane is CCC(OC(CC)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-(2-methylpentan-3-yloxy)pentane?
The InChIKey is QWLIALGGHXVWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-11(9(3)4)13-12(8-2)10(5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-methyl-3-(2-methylpentan-3-yloxy)pentane?
2-methyl-3-(2-methylpentan-3-yloxy)pentane has a molecular weight of 186.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpentan-3-yloxy)pentane is sourced from PubChem (CID 22151647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).