2-deuterioethenylbenzene;prop-1-enylbenzene

C17H18 — CID 162227902

IUPAC2-deuterioethenylbenzene;prop-1-enylbenzene
SMILESCC=Cc1ccccc1.[2H]/C=C/c1ccccc1
InChIInChI=1S/C9H10.C8H8/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8/h2-8H,1H3;2-7H,1H2/i;1D/b;2-1+
InChIKeyZUZSFMQBICMDEZ-IMOHWSRDSA-N
MW223.34 g/mol
LogP5.05
Rot. Bonds2

About 2-deuterioethenylbenzene;prop-1-enylbenzene

2-deuterioethenylbenzene;prop-1-enylbenzene (PubChem CID 162227902) has the molecular formula C17H18 and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-deuterioethenylbenzene;prop-1-enylbenzene.

Molecular Properties

Compound Name2-deuterioethenylbenzene;prop-1-enylbenzene
PubChem CID162227902
Molecular FormulaC17H18
Molecular Weight223.34 g/mol
Exact Mass223.15
IUPAC Name2-deuterioethenylbenzene;prop-1-enylbenzene
SMILESCC=Cc1ccccc1.[2H]/C=C/c1ccccc1
InChIInChI=1S/C9H10.C8H8/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8/h2-8H,1H3;2-7H,1H2/i;1D/b;2-1+
InChIKeyZUZSFMQBICMDEZ-IMOHWSRDSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
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CID 172716960
2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
prop-1-enylbenzene;trimethylazanium;bromide
CID 69252782
prop-1-enylbenzene;thiourea
CID 172856640
1-ethenyl-3-methylbenzene;prop-1-enylbenzene
CID 162018200
propane-1,2-diol;prop-1-enylbenzene
CID 161072622
(E)-3-phenylprop-2-enal;[(E)-prop-1-enyl]benzene
CID 22568680
benzene;ethane;styrene
CID 21219610
ethane;bis(1-phenylpropane-1,2-diol);bis([(E)-prop-1-enyl]benzene)
CID 157286318
but-1-en-2-ylbenzene;prop-1-enylbenzene
CID 173014652

Frequently Asked Questions

What is the IUPAC name of 2-deuterioethenylbenzene;prop-1-enylbenzene?
The IUPAC name of 2-deuterioethenylbenzene;prop-1-enylbenzene (CID 162227902) is 2-deuterioethenylbenzene;prop-1-enylbenzene.
What is the SMILES notation for 2-deuterioethenylbenzene;prop-1-enylbenzene?
The canonical SMILES for 2-deuterioethenylbenzene;prop-1-enylbenzene is CC=Cc1ccccc1.[2H]/C=C/c1ccccc1.
What is the InChIKey of 2-deuterioethenylbenzene;prop-1-enylbenzene?
The InChIKey is ZUZSFMQBICMDEZ-IMOHWSRDSA-N. The full InChI is InChI=1S/C9H10.C8H8/c1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8/h2-8H,1H3;2-7H,1H2/i;1D/b;2-1+.
What are the key properties of 2-deuterioethenylbenzene;prop-1-enylbenzene?
2-deuterioethenylbenzene;prop-1-enylbenzene has a molecular weight of 223.34 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterioethenylbenzene;prop-1-enylbenzene is sourced from PubChem (CID 162227902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).