ethane;1,3,6-trimethylnaphthalene

C15H20 — CID 91186069

IUPACethane;1,3,6-trimethylnaphthalene
SMILESCC.Cc1ccc2c(C)cc(C)cc2c1
InChIInChI=1S/C13H14.C2H6/c1-9-4-5-13-11(3)6-10(2)8-12(13)7-9;1-2/h4-8H,1-3H3;1-2H3
InChIKeyRXVQBYUSURWHJG-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.79
Rot. Bonds

About ethane;1,3,6-trimethylnaphthalene

ethane;1,3,6-trimethylnaphthalene (PubChem CID 91186069) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethane;1,3,6-trimethylnaphthalene.

Molecular Properties

Compound Nameethane;1,3,6-trimethylnaphthalene
PubChem CID91186069
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Nameethane;1,3,6-trimethylnaphthalene
SMILESCC.Cc1ccc2c(C)cc(C)cc2c1
InChIInChI=1S/C13H14.C2H6/c1-9-4-5-13-11(3)6-10(2)8-12(13)7-9;1-2/h4-8H,1-3H3;1-2H3
InChIKeyRXVQBYUSURWHJG-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethylnaphthalene;ethane
CID 145447624
1,6-dimethyl-3-propan-2-ylnaphthalene
CID 54157023
2,7-dimethylphenanthrene;ethane
CID 91503011
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
1,3-dimethyl-7-(4-methylphenyl)naphthalene
CID 160612509
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
3-iodo-1,6-dimethylisoquinoline
CID 143289425
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
CID 143742447
6,8-dimethylisoquinoline;ethane
CID 143881412
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);1,2,5,6-tetramethylnaphthalene;bis(1,2,4-trimethylbenzene);bis(1,2,6-trimethylnaphthalene)
CID 158674501

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,6-trimethylnaphthalene?
The IUPAC name of ethane;1,3,6-trimethylnaphthalene (CID 91186069) is ethane;1,3,6-trimethylnaphthalene.
What is the SMILES notation for ethane;1,3,6-trimethylnaphthalene?
The canonical SMILES for ethane;1,3,6-trimethylnaphthalene is CC.Cc1ccc2c(C)cc(C)cc2c1.
What is the InChIKey of ethane;1,3,6-trimethylnaphthalene?
The InChIKey is RXVQBYUSURWHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C2H6/c1-9-4-5-13-11(3)6-10(2)8-12(13)7-9;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;1,3,6-trimethylnaphthalene?
ethane;1,3,6-trimethylnaphthalene has a molecular weight of 200.32 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,6-trimethylnaphthalene is sourced from PubChem (CID 91186069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).