benzene;ethane;styrene

C16H20 — CID 21219610

IUPACbenzene;ethane;styrene
SMILESC=Cc1ccccc1.CC.c1ccccc1
InChIInChI=1S/C8H8.C6H6.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-2/h2-7H,1H2;1-6H;1-2H3
InChIKeyVOMGQJRYYDDRDY-UHFFFAOYSA-N
MW212.34 g/mol
LogP5.04
Rot. Bonds1

About benzene;ethane;styrene

benzene;ethane;styrene (PubChem CID 21219610) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is benzene;ethane;styrene.

Molecular Properties

Compound Namebenzene;ethane;styrene
PubChem CID21219610
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Namebenzene;ethane;styrene
SMILESC=Cc1ccccc1.CC.c1ccccc1
InChIInChI=1S/C8H8.C6H6.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-2/h2-7H,1H2;1-6H;1-2H3
InChIKeyVOMGQJRYYDDRDY-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;styrene?
The IUPAC name of benzene;ethane;styrene (CID 21219610) is benzene;ethane;styrene.
What is the SMILES notation for benzene;ethane;styrene?
The canonical SMILES for benzene;ethane;styrene is C=Cc1ccccc1.CC.c1ccccc1.
What is the InChIKey of benzene;ethane;styrene?
The InChIKey is VOMGQJRYYDDRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H6.C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-2/h2-7H,1H2;1-6H;1-2H3.
What are the key properties of benzene;ethane;styrene?
benzene;ethane;styrene has a molecular weight of 212.34 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;styrene is sourced from PubChem (CID 21219610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).