1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene

C25H38O3 — CID 91426597

IUPAC1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene
SMILESCOCOc1c(C)c(C)c(C)c(C)c1C.COc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H20O2.C12H18O/c1-8-9(2)11(4)13(15-7-14-6)12(5)10(8)3;1-7-8(2)10(4)12(13-6)11(5)9(7)3/h7H2,1-6H3;1-6H3
InChIKeyLOXWYRFAPRWRQH-UHFFFAOYSA-N
MW386.58 g/mol
LogP6.45
Rot. Bonds4

About 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene

1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene (PubChem CID 91426597) has the molecular formula C25H38O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene
PubChem CID91426597
Molecular FormulaC25H38O3
Molecular Weight386.58 g/mol
Exact Mass386.28
IUPAC Name1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene
SMILESCOCOc1c(C)c(C)c(C)c(C)c1C.COc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H20O2.C12H18O/c1-8-9(2)11(4)13(15-7-14-6)12(5)10(8)3;1-7-8(2)10(4)12(13-6)11(5)9(7)3/h7H2,1-6H3;1-6H3
InChIKeyLOXWYRFAPRWRQH-UHFFFAOYSA-N
XLogP6.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenoxy)methoxy]benzene
CID 58773897
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol
CID 101076400
2-[3,4-dimethoxy-2,5-bis(methoxymethoxy)-6-methylphenyl]acetaldehyde
CID 11716629
1,4-dichloro-2-(methoxymethoxy)-3-methylbenzene
CID 164512715
1,3,4-trimethoxy-2,5-bis(methoxymethoxy)benzene
CID 56613855
1-butyl-2,5-dimethoxy-3,6-bis(methoxymethoxy)-4-[5-[2,4,5-trimethoxy-3,6-bis(methoxymethoxy)phenyl]pentyl]benzene
CID 19757236
6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene
CID 172845448
9,10-bis(methoxymethoxy)anthracene
CID 150706504
2-methoxy-1,4-bis(methoxymethoxy)-3-methyl-5-nitrobenzene
CID 14137884
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene (CID 91426597) is 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene is COCOc1c(C)c(C)c(C)c(C)c1C.COc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene?
The InChIKey is LOXWYRFAPRWRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C12H18O/c1-8-9(2)11(4)13(15-7-14-6)12(5)10(8)3;1-7-8(2)10(4)12(13-6)11(5)9(7)3/h7H2,1-6H3;1-6H3.
What are the key properties of 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene?
1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene has a molecular weight of 386.58 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 91426597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).