styrene

C8H8 — CID 7501

IUPACstyrene
SMILESC=Cc1ccccc1
InChIInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyPPBRXRYQALVLMV-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.33
Rot. Bonds1

About styrene

styrene (PubChem CID 7501) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is styrene.

Molecular Properties

Compound Namestyrene
PubChem CID7501
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Namestyrene
SMILESC=Cc1ccccc1
InChIInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyPPBRXRYQALVLMV-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
M-Xylene
CID 7929
P-Xylene
CID 7809
Tetralin
CID 8404
P-Cymene
CID 7463
Indene
CID 7219
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of styrene?
The IUPAC name of styrene (CID 7501) is styrene.
What is the SMILES notation for styrene?
The canonical SMILES for styrene is C=Cc1ccccc1.
What is the InChIKey of styrene?
The InChIKey is PPBRXRYQALVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2.
What are the key properties of styrene?
styrene has a molecular weight of 104.15 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for styrene is sourced from PubChem (CID 7501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).