ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene

C16H22O — CID 144628843

IUPACethane;6-(methoxymethyl)-1,4-dimethylnaphthalene
SMILESCC.COCc1ccc2c(C)ccc(C)c2c1
InChIInChI=1S/C14H16O.C2H6/c1-10-4-5-11(2)14-8-12(9-15-3)6-7-13(10)14;1-2/h4-8H,9H2,1-3H3;1-2H3
InChIKeySCEOPMGAYZPUNA-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.63
Rot. Bonds2

About ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene

ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene (PubChem CID 144628843) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene.

Molecular Properties

Compound Nameethane;6-(methoxymethyl)-1,4-dimethylnaphthalene
PubChem CID144628843
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Nameethane;6-(methoxymethyl)-1,4-dimethylnaphthalene
SMILESCC.COCc1ccc2c(C)ccc(C)c2c1
InChIInChI=1S/C14H16O.C2H6/c1-10-4-5-11(2)14-8-12(9-15-3)6-7-13(10)14;1-2/h4-8H,9H2,1-3H3;1-2H3
InChIKeySCEOPMGAYZPUNA-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(methoxymethyl)-1,2-dimethylnaphthalene
CID 144628840
7-(methoxymethyl)-1-methylnaphthalene
CID 122580391
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
1,4-bis(methoxymethyl)-2-methylbenzene
CID 19879640
4-(methoxymethyl)-2-methylbenzenethiol
CID 123188864
1,6-bis(methoxymethyl)naphthalene
CID 68953678
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium
CID 167365603

Frequently Asked Questions

What is the IUPAC name of ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene?
The IUPAC name of ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene (CID 144628843) is ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene.
What is the SMILES notation for ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene?
The canonical SMILES for ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene is CC.COCc1ccc2c(C)ccc(C)c2c1.
What is the InChIKey of ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene?
The InChIKey is SCEOPMGAYZPUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C2H6/c1-10-4-5-11(2)14-8-12(9-15-3)6-7-13(10)14;1-2/h4-8H,9H2,1-3H3;1-2H3.
What are the key properties of ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene?
ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene has a molecular weight of 230.35 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene is sourced from PubChem (CID 144628843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).