ethane;1,2,3-trimethylbenzene

C11H18 — CID 54068667

IUPACethane;1,2,3-trimethylbenzene
SMILESCC.Cc1cccc(C)c1C
InChIInChI=1S/C9H12.C2H6/c1-7-5-4-6-8(2)9(7)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyMEVQRYKSINAABK-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.64
Rot. Bonds

About ethane;1,2,3-trimethylbenzene

ethane;1,2,3-trimethylbenzene (PubChem CID 54068667) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is ethane;1,2,3-trimethylbenzene.

Molecular Properties

Compound Nameethane;1,2,3-trimethylbenzene
PubChem CID54068667
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Nameethane;1,2,3-trimethylbenzene
SMILESCC.Cc1cccc(C)c1C
InChIInChI=1S/C9H12.C2H6/c1-7-5-4-6-8(2)9(7)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyMEVQRYKSINAABK-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;1,2,3-trimethylbenzene
CID 159605245
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
dichlororuthenium;1,2,3-trimethylbenzene
CID 87163409
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
2,3-dimethylaniline;ethane
CID 142025904
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
hexane;1,2,3-trimethylbenzene
CID 159405289
ethane;N,N,4-trimethylaniline;1,2,3-trimethylbenzene
CID 142152742
(2,3-dimethylphenyl)boronic acid;ethane
CID 91164707

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3-trimethylbenzene?
The IUPAC name of ethane;1,2,3-trimethylbenzene (CID 54068667) is ethane;1,2,3-trimethylbenzene.
What is the SMILES notation for ethane;1,2,3-trimethylbenzene?
The canonical SMILES for ethane;1,2,3-trimethylbenzene is CC.Cc1cccc(C)c1C.
What is the InChIKey of ethane;1,2,3-trimethylbenzene?
The InChIKey is MEVQRYKSINAABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H6/c1-7-5-4-6-8(2)9(7)3;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;1,2,3-trimethylbenzene?
ethane;1,2,3-trimethylbenzene has a molecular weight of 150.26 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3-trimethylbenzene is sourced from PubChem (CID 54068667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).