4-ethyl-4-methoxy-2,6-dimethylheptane

C12H26O — CID 141423209

IUPAC4-ethyl-4-methoxy-2,6-dimethylheptane
SMILESCCC(CC(C)C)(CC(C)C)OC
InChIInChI=1S/C12H26O/c1-7-12(13-6,8-10(2)3)9-11(4)5/h10-11H,7-9H2,1-6H3
InChIKeyZQOWRBASDZXPKJ-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.87
Rot. Bonds6

About 4-ethyl-4-methoxy-2,6-dimethylheptane

4-ethyl-4-methoxy-2,6-dimethylheptane (PubChem CID 141423209) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4-ethyl-4-methoxy-2,6-dimethylheptane.

Molecular Properties

Compound Name4-ethyl-4-methoxy-2,6-dimethylheptane
PubChem CID141423209
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4-ethyl-4-methoxy-2,6-dimethylheptane
SMILESCCC(CC(C)C)(CC(C)C)OC
InChIInChI=1S/C12H26O/c1-7-12(13-6,8-10(2)3)9-11(4)5/h10-11H,7-9H2,1-6H3
InChIKeyZQOWRBASDZXPKJ-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

3,3-dimethoxy-2,5-dimethylhexane
CID 130439483
2-ethyl-2-methoxy-4-methylhexan-1-amine
CID 66070312
6-ethyl-6-methoxy-2,4-dimethyloctan-1-ol
CID 167217593
4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane
CID 135274570
3-ethyl-3-(2-methylpropoxy)pentane
CID 123413367
2,2-dimethoxy-3-methylbutan-1-ol
CID 57218658
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
CID 174115501
CID 174115501
(2,6-dimethyl-4-propylheptan-4-yl)oxysilane
CID 123437790
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
2,4,4,5,6-pentamethyloctane
CID 57491109
bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane
CID 139950714

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methoxy-2,6-dimethylheptane?
The IUPAC name of 4-ethyl-4-methoxy-2,6-dimethylheptane (CID 141423209) is 4-ethyl-4-methoxy-2,6-dimethylheptane.
What is the SMILES notation for 4-ethyl-4-methoxy-2,6-dimethylheptane?
The canonical SMILES for 4-ethyl-4-methoxy-2,6-dimethylheptane is CCC(CC(C)C)(CC(C)C)OC.
What is the InChIKey of 4-ethyl-4-methoxy-2,6-dimethylheptane?
The InChIKey is ZQOWRBASDZXPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-12(13-6,8-10(2)3)9-11(4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of 4-ethyl-4-methoxy-2,6-dimethylheptane?
4-ethyl-4-methoxy-2,6-dimethylheptane 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 4-ethyl-4-methoxy-2,6-dimethylheptane is sourced from PubChem (CID 141423209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).