2-methoxy-3,6-dimethyloctane

C11H24O — CID 91203473

IUPAC2-methoxy-3,6-dimethyloctane
SMILESCCC(C)CCC(C)C(C)OC
InChIInChI=1S/C11H24O/c1-6-9(2)7-8-10(3)11(4)12-5/h9-11H,6-8H2,1-5H3
InChIKeyXBQJEKQZKVNHJI-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.48
Rot. Bonds6

About 2-methoxy-3,6-dimethyloctane

2-methoxy-3,6-dimethyloctane (PubChem CID 91203473) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-methoxy-3,6-dimethyloctane.

Molecular Properties

Compound Name2-methoxy-3,6-dimethyloctane
PubChem CID91203473
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-methoxy-3,6-dimethyloctane
SMILESCCC(C)CCC(C)C(C)OC
InChIInChI=1S/C11H24O/c1-6-9(2)7-8-10(3)11(4)12-5/h9-11H,6-8H2,1-5H3
InChIKeyXBQJEKQZKVNHJI-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3,6,7,10-tetramethyldodecane
CID 143901344
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
triethyl(1-methoxyethyl)phosphanium
CID 23415371
(2S,5S)-2-methoxy-N,5-dimethylheptan-1-amine
CID 178044183
2-methoxy-3,7-dimethyloctane
CID 174760883
1-chloro-2,5,6-trimethyloctane
CID 135229642
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
7-ethyl-3,6-dimethyldecane
CID 57491785
1-amino-2,5-dimethylheptan-1-ol
CID 123488393
ethane;3-methylpentane
CID 91147782
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,5-dimethylheptane;propane
CID 145235091

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,6-dimethyloctane?
The IUPAC name of 2-methoxy-3,6-dimethyloctane (CID 91203473) is 2-methoxy-3,6-dimethyloctane.
What is the SMILES notation for 2-methoxy-3,6-dimethyloctane?
The canonical SMILES for 2-methoxy-3,6-dimethyloctane is CCC(C)CCC(C)C(C)OC.
What is the InChIKey of 2-methoxy-3,6-dimethyloctane?
The InChIKey is XBQJEKQZKVNHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-9(2)7-8-10(3)11(4)12-5/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-methoxy-3,6-dimethyloctane?
2-methoxy-3,6-dimethyloctane has a molecular weight of 172.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,6-dimethyloctane is sourced from PubChem (CID 91203473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).