3-methoxy-3,7-dimethylnonane

C12H26O — CID 118351298

IUPAC3-methoxy-3,7-dimethylnonane
SMILESCCC(C)CCCC(C)(CC)OC
InChIInChI=1S/C12H26O/c1-6-11(3)9-8-10-12(4,7-2)13-5/h11H,6-10H2,1-5H3
InChIKeyISJJVSGPABEFFK-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds7

About 3-methoxy-3,7-dimethylnonane

3-methoxy-3,7-dimethylnonane (PubChem CID 118351298) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-methoxy-3,7-dimethylnonane.

Molecular Properties

Compound Name3-methoxy-3,7-dimethylnonane
PubChem CID118351298
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3-methoxy-3,7-dimethylnonane
SMILESCCC(C)CCCC(C)(CC)OC
InChIInChI=1S/C12H26O/c1-6-11(3)9-8-10-12(4,7-2)13-5/h11H,6-10H2,1-5H3
InChIKeyISJJVSGPABEFFK-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91173941
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3-methoxy-3-methyldodecane
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1-methoxy-3-methyl-3-(3-methylpentoxy)pentane
CID 89083438
7-methoxy-3,3,7-trimethylnonan-1-ol
CID 88874451
2,3,4,4,8-pentamethyldecane
CID 123715687
2,8-dimethyldecan-2-ol
CID 122367233
(3R,7R)-3,7-dimethylnonane
CID 42626759
3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol
CID 137467653
2,2,13-trimethylpentadecane
CID 150334228
3,7,7-trimethyltridecane
CID 123996242

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,7-dimethylnonane?
The IUPAC name of 3-methoxy-3,7-dimethylnonane (CID 118351298) is 3-methoxy-3,7-dimethylnonane.
What is the SMILES notation for 3-methoxy-3,7-dimethylnonane?
The canonical SMILES for 3-methoxy-3,7-dimethylnonane is CCC(C)CCCC(C)(CC)OC.
What is the InChIKey of 3-methoxy-3,7-dimethylnonane?
The InChIKey is ISJJVSGPABEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-11(3)9-8-10-12(4,7-2)13-5/h11H,6-10H2,1-5H3.
What are the key properties of 3-methoxy-3,7-dimethylnonane?
3-methoxy-3,7-dimethylnonane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,7-dimethylnonane is sourced from PubChem (CID 118351298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).