1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane

C20H36O4 — CID 159228016

IUPAC1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane
SMILESCOC(C)(C)CCC(C)(C)OC.COCc1ccc(COC)cc1
InChIInChI=1S/C10H14O2.C10H22O2/c1-11-7-9-3-5-10(6-4-9)8-12-2;1-9(2,11-5)7-8-10(3,4)12-6/h3-6H,7-8H2,1-2H3;7-8H2,1-6H3
InChIKeyKSNPCUNOVNXTBV-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.60
Rot. Bonds9

About 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane

1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane (PubChem CID 159228016) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane
PubChem CID159228016
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane
SMILESCOC(C)(C)CCC(C)(C)OC.COCc1ccc(COC)cc1
InChIInChI=1S/C10H14O2.C10H22O2/c1-11-7-9-3-5-10(6-4-9)8-12-2;1-9(2,11-5)7-8-10(3,4)12-6/h3-6H,7-8H2,1-2H3;7-8H2,1-6H3
InChIKeyKSNPCUNOVNXTBV-UHFFFAOYSA-N
XLogP4.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
tris[4-(methoxymethyl)phenyl] borate
CID 70231654
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
[4-(methoxymethyl)phenyl] 5-ethoxy-2,2,5-trimethylhexanoate
CID 143947797
2-[4-(3-methoxy-3-methylbutyl)phenyl]acetonitrile
CID 115110938
1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
CID 117111980

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane?
The IUPAC name of 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane (CID 159228016) is 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane.
What is the SMILES notation for 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane?
The canonical SMILES for 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane is COC(C)(C)CCC(C)(C)OC.COCc1ccc(COC)cc1.
What is the InChIKey of 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane?
The InChIKey is KSNPCUNOVNXTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C10H22O2/c1-11-7-9-3-5-10(6-4-9)8-12-2;1-9(2,11-5)7-8-10(3,4)12-6/h3-6H,7-8H2,1-2H3;7-8H2,1-6H3.
What are the key properties of 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane?
1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane has a molecular weight of 340.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane is sourced from PubChem (CID 159228016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).