1,6-dimethoxy-3,7-dimethyloctane

C12H26O2 — CID 135017434

IUPAC1,6-dimethoxy-3,7-dimethyloctane
SMILESCOCCC(C)CCC(OC)C(C)C
InChIInChI=1S/C12H26O2/c1-10(2)12(14-5)7-6-11(3)8-9-13-4/h10-12H,6-9H2,1-5H3
InChIKeySJOOVCSXJQGOIQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.11
Rot. Bonds8

About 1,6-dimethoxy-3,7-dimethyloctane

1,6-dimethoxy-3,7-dimethyloctane (PubChem CID 135017434) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,6-dimethoxy-3,7-dimethyloctane.

Molecular Properties

Compound Name1,6-dimethoxy-3,7-dimethyloctane
PubChem CID135017434
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1,6-dimethoxy-3,7-dimethyloctane
SMILESCOCCC(C)CCC(OC)C(C)C
InChIInChI=1S/C12H26O2/c1-10(2)12(14-5)7-6-11(3)8-9-13-4/h10-12H,6-9H2,1-5H3
InChIKeySJOOVCSXJQGOIQ-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclododecane, 1-methoxy-1-methyl-
CID 161949
3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
1,6-Octanediol, 3,7-dimethyl-
CID 103732
1,3,5,7-Tetramethyldecyl formate
CID 13035164
Tetradecahydrocyclododeca[b]furan
CID 14687820
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
Oxirane, 2-(5-methoxy-1,5-dimethylhexyl)-
CID 170303
(7-Ethyl-2-methylundecan-4-yl) sulfate
CID 3711576
Aluminum, (isooctanolato)bis(2-propanolato)-
CID 16684167
(Methoxymethyl)cyclododecane
CID 3018712

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-3,7-dimethyloctane?
The IUPAC name of 1,6-dimethoxy-3,7-dimethyloctane (CID 135017434) is 1,6-dimethoxy-3,7-dimethyloctane.
What is the SMILES notation for 1,6-dimethoxy-3,7-dimethyloctane?
The canonical SMILES for 1,6-dimethoxy-3,7-dimethyloctane is COCCC(C)CCC(OC)C(C)C.
What is the InChIKey of 1,6-dimethoxy-3,7-dimethyloctane?
The InChIKey is SJOOVCSXJQGOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-10(2)12(14-5)7-6-11(3)8-9-13-4/h10-12H,6-9H2,1-5H3.
What are the key properties of 1,6-dimethoxy-3,7-dimethyloctane?
1,6-dimethoxy-3,7-dimethyloctane has a molecular weight of 202.34 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-3,7-dimethyloctane is sourced from PubChem (CID 135017434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).