ethane;1,3,5-trimethylbenzene

C13H24 — CID 91530079

IUPACethane;1,3,5-trimethylbenzene
SMILESCC.CC.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.2C2H6/c1-7-4-8(2)6-9(3)5-7;2*1-2/h4-6H,1-3H3;2*1-2H3
InChIKeyCGRBRSHELKDUBI-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.66
Rot. Bonds

About ethane;1,3,5-trimethylbenzene

ethane;1,3,5-trimethylbenzene (PubChem CID 91530079) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is ethane;1,3,5-trimethylbenzene.

Molecular Properties

Compound Nameethane;1,3,5-trimethylbenzene
PubChem CID91530079
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nameethane;1,3,5-trimethylbenzene
SMILESCC.CC.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.2C2H6/c1-7-4-8(2)6-9(3)5-7;2*1-2/h4-6H,1-3H3;2*1-2H3
InChIKeyCGRBRSHELKDUBI-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1,3,5-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
N,N-dimethylmethanamine;1,3,5-trimethylbenzene
CID 160733965
formonitrile;1,3,5-trimethylbenzene
CID 174826910
oxophosphanium;1,3,5-trimethylbenzene
CID 162088075
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
difluoroxenon;1,3,5-trimethylbenzene
CID 175404691
trichlororuthenium;1,3,5-trimethylbenzene
CID 175712088
chromium;formaldehyde;1,3,5-trimethylbenzene
CID 15823960
ethane;1-fluoro-3,5-dimethylbenzene;propane
CID 143107717
(3,5-dimethylphenyl)azanium
CID 1274251
3,5-dimethylaniline;hydrofluoride
CID 158073989

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-trimethylbenzene?
The IUPAC name of ethane;1,3,5-trimethylbenzene (CID 91530079) is ethane;1,3,5-trimethylbenzene.
What is the SMILES notation for ethane;1,3,5-trimethylbenzene?
The canonical SMILES for ethane;1,3,5-trimethylbenzene is CC.CC.Cc1cc(C)cc(C)c1.
What is the InChIKey of ethane;1,3,5-trimethylbenzene?
The InChIKey is CGRBRSHELKDUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C2H6/c1-7-4-8(2)6-9(3)5-7;2*1-2/h4-6H,1-3H3;2*1-2H3.
What are the key properties of ethane;1,3,5-trimethylbenzene?
ethane;1,3,5-trimethylbenzene has a molecular weight of 180.33 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5-trimethylbenzene is sourced from PubChem (CID 91530079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).