2-methoxy-3,7-dimethyloctane

C11H24O — CID 174760883

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

About 2-methoxy-3,7-dimethyloctane

2-methoxy-3,7-dimethyloctane (PubChem CID 174760883) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-methoxy-3,7-dimethyloctane.

Molecular Properties

Compound Name2-methoxy-3,7-dimethyloctane
PubChem CID174760883
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-methoxy-3,7-dimethyloctane
SMILESCOC(C)C(C)CCCC(C)C
InChIInChI=1S/C11H24O/c1-9(2)7-6-8-10(3)11(4)12-5/h9-11H,6-8H2,1-5H3
InChIKeyUKEMTLUDQYLDPT-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

N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine
CID 115705131
1-methoxy-5-methylhexan-1-ol
CID 167712428
2-methoxy-3,6-dimethyloctane
CID 91203473
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
1-[2-hydroxydodecyl-(5-methoxy-4-methylhexyl)amino]dodecan-2-ol
CID 139352416
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
[(2S,3S)-3,10-dimethylundecan-2-yl] propanoate
CID 11747242
ethane;2,3,5,9-tetramethyldecane
CID 172617392
1-methoxy-4,8-dimethylnonane
CID 90974533
(7R)-7-methoxy-2-methylundecane
CID 118890177
4-methylpentylphosphane
CID 23117374

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,7-dimethyloctane?
The IUPAC name of 2-methoxy-3,7-dimethyloctane (CID 174760883) is 2-methoxy-3,7-dimethyloctane.
What is the SMILES notation for 2-methoxy-3,7-dimethyloctane?
The canonical SMILES for 2-methoxy-3,7-dimethyloctane is COC(C)C(C)CCCC(C)C.
What is the InChIKey of 2-methoxy-3,7-dimethyloctane?
The InChIKey is UKEMTLUDQYLDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-9(2)7-6-8-10(3)11(4)12-5/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-methoxy-3,7-dimethyloctane?
2-methoxy-3,7-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-3,7-dimethyloctane is sourced from PubChem (CID 174760883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).