bis(prop-1-en-2-ylbenzene);styrene

C26H28 — CID 157311042

IUPACbis(prop-1-en-2-ylbenzene);styrene
SMILESC=C(C)c1ccccc1.C=C(C)c1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C9H10.C8H8/c2*1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h2*3-7H,1H2,2H3;2-7H,1H2
InChIKeyBDATYDKSIXDZKU-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.77
Rot. Bonds3

About bis(prop-1-en-2-ylbenzene);styrene

bis(prop-1-en-2-ylbenzene);styrene (PubChem CID 157311042) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is bis(prop-1-en-2-ylbenzene);styrene.

Molecular Properties

Compound Namebis(prop-1-en-2-ylbenzene);styrene
PubChem CID157311042
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Namebis(prop-1-en-2-ylbenzene);styrene
SMILESC=C(C)c1ccccc1.C=C(C)c1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C9H10.C8H8/c2*1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h2*3-7H,1H2,2H3;2-7H,1H2
InChIKeyBDATYDKSIXDZKU-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-methylprop-2-enoic acid;prop-2-enenitrile;prop-1-en-2-ylbenzene;styrene
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tert-butyl prop-2-enoate;prop-1-en-2-ylbenzene;styrene
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CID 161299444
prop-1-en-2-ylbenzene;silane
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Frequently Asked Questions

What is the IUPAC name of bis(prop-1-en-2-ylbenzene);styrene?
The IUPAC name of bis(prop-1-en-2-ylbenzene);styrene (CID 157311042) is bis(prop-1-en-2-ylbenzene);styrene.
What is the SMILES notation for bis(prop-1-en-2-ylbenzene);styrene?
The canonical SMILES for bis(prop-1-en-2-ylbenzene);styrene is C=C(C)c1ccccc1.C=C(C)c1ccccc1.C=Cc1ccccc1.
What is the InChIKey of bis(prop-1-en-2-ylbenzene);styrene?
The InChIKey is BDATYDKSIXDZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10.C8H8/c2*1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h2*3-7H,1H2,2H3;2-7H,1H2.
What are the key properties of bis(prop-1-en-2-ylbenzene);styrene?
bis(prop-1-en-2-ylbenzene);styrene has a molecular weight of 340.51 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-1-en-2-ylbenzene);styrene is sourced from PubChem (CID 157311042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).