benzene;ethane

C8H12 — CID 18504552

IUPACbenzene;ethane
SMILESCC.c1ccccc1
InChIInChI=1S/C6H6.C2H6/c1-2-4-6-5-3-1;1-2/h1-6H;1-2H3
InChIKeyBTMRYSYEOPOPBR-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.71
Rot. Bonds

About benzene;ethane

benzene;ethane (PubChem CID 18504552) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is benzene;ethane.

Molecular Properties

Compound Namebenzene;ethane
PubChem CID18504552
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Namebenzene;ethane
SMILESCC.c1ccccc1
InChIInChI=1S/C6H6.C2H6/c1-2-4-6-5-3-1;1-2/h1-6H;1-2H3
InChIKeyBTMRYSYEOPOPBR-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzene
CID 241
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Butylbenzene
CID 7705
Phenylmercuric Chloride
CID 7511
Propylbenzene
CID 7668
Diphenyl diselenide
CID 15460
trans-beta-METHYLSTYRENE
CID 252325
Fluorobenzene
CID 10008
Iodobenzene
CID 11575
Diphenylmercury
CID 11488
Phenyl phosphorus dichloride
CID 12573

Frequently Asked Questions

What is the IUPAC name of benzene;ethane?
The IUPAC name of benzene;ethane (CID 18504552) is benzene;ethane.
What is the SMILES notation for benzene;ethane?
The canonical SMILES for benzene;ethane is CC.c1ccccc1.
What is the InChIKey of benzene;ethane?
The InChIKey is BTMRYSYEOPOPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H6/c1-2-4-6-5-3-1;1-2/h1-6H;1-2H3.
What are the key properties of benzene;ethane?
benzene;ethane has a molecular weight of 108.18 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane is sourced from PubChem (CID 18504552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).