1-prop-2-enyltetracene

C21H16 — CID 162689403

IUPAC1-prop-2-enyltetracene
SMILESC=CCc1cccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C21H16/c1-2-6-15-9-5-10-18-13-19-11-16-7-3-4-8-17(16)12-20(19)14-21(15)18/h2-5,7-14H,1,6H2
InChIKeyVPKYUMWVMFXKMX-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.87
Rot. Bonds2

About 1-prop-2-enyltetracene

1-prop-2-enyltetracene (PubChem CID 162689403) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-prop-2-enyltetracene.

Molecular Properties

Compound Name1-prop-2-enyltetracene
PubChem CID162689403
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Name1-prop-2-enyltetracene
SMILESC=CCc1cccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C21H16/c1-2-6-15-9-5-10-18-13-19-11-16-7-3-4-8-17(16)12-20(19)14-21(15)18/h2-5,7-14H,1,6H2
InChIKeyVPKYUMWVMFXKMX-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
CID 70221186
CID 173167056
CID 173167056
3,5-bis(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984848
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
1-(chloromethyl)anthracene
CID 18004230
anthracen-1-ylmethanolate
CID 57358748
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
1-prop-2-enylanthracen-2-ol
CID 175294805
2,3,9,10-tetrakis(prop-2-enyl)pentacene
CID 173239709
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
1-ethylanthracene;formic acid
CID 175485335

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyltetracene?
The IUPAC name of 1-prop-2-enyltetracene (CID 162689403) is 1-prop-2-enyltetracene.
What is the SMILES notation for 1-prop-2-enyltetracene?
The canonical SMILES for 1-prop-2-enyltetracene is C=CCc1cccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 1-prop-2-enyltetracene?
The InChIKey is VPKYUMWVMFXKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-2-6-15-9-5-10-18-13-19-11-16-7-3-4-8-17(16)12-20(19)14-21(15)18/h2-5,7-14H,1,6H2.
What are the key properties of 1-prop-2-enyltetracene?
1-prop-2-enyltetracene has a molecular weight of 268.36 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyltetracene is sourced from PubChem (CID 162689403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).