ethane;ethylbenzene;methanol

C11H20O — CID 90833594

IUPACethane;ethylbenzene;methanol
SMILESCC.CCc1ccccc1.CO
InChIInChI=1S/C8H10.C2H6.CH4O/c1-2-8-6-4-3-5-7-8;2*1-2/h3-7H,2H2,1H3;1-2H3;2H,1H3
InChIKeyGFAVOIRIKGPHLW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.88
Rot. Bonds1

About ethane;ethylbenzene;methanol

ethane;ethylbenzene;methanol (PubChem CID 90833594) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;ethylbenzene;methanol.

Molecular Properties

Compound Nameethane;ethylbenzene;methanol
PubChem CID90833594
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameethane;ethylbenzene;methanol
SMILESCC.CCc1ccccc1.CO
InChIInChI=1S/C8H10.C2H6.CH4O/c1-2-8-6-4-3-5-7-8;2*1-2/h3-7H,2H2,1H3;1-2H3;2H,1H3
InChIKeyGFAVOIRIKGPHLW-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;methanol?
The IUPAC name of ethane;ethylbenzene;methanol (CID 90833594) is ethane;ethylbenzene;methanol.
What is the SMILES notation for ethane;ethylbenzene;methanol?
The canonical SMILES for ethane;ethylbenzene;methanol is CC.CCc1ccccc1.CO.
What is the InChIKey of ethane;ethylbenzene;methanol?
The InChIKey is GFAVOIRIKGPHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2H6.CH4O/c1-2-8-6-4-3-5-7-8;2*1-2/h3-7H,2H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;ethylbenzene;methanol?
ethane;ethylbenzene;methanol has a molecular weight of 168.28 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;methanol is sourced from PubChem (CID 90833594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).