1,3,5,7-tetrakis(ethenyl)adamantane

C18H24 — CID 13024226

IUPAC1,3,5,7-tetrakis(ethenyl)adamantane
SMILESC=CC12CC3(C=C)CC(C=C)(C1)CC(C=C)(C2)C3
InChIInChI=1S/C18H24/c1-5-15-9-16(6-2)12-17(7-3,10-15)14-18(8-4,11-15)13-16/h5-8H,1-4,9-14H2
InChIKeyCBYUNFOOVVQCLO-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.06
Rot. Bonds4

About 1,3,5,7-tetrakis(ethenyl)adamantane

1,3,5,7-tetrakis(ethenyl)adamantane (PubChem CID 13024226) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,3,5,7-tetrakis(ethenyl)adamantane.

Molecular Properties

Compound Name1,3,5,7-tetrakis(ethenyl)adamantane
PubChem CID13024226
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1,3,5,7-tetrakis(ethenyl)adamantane
SMILESC=CC12CC3(C=C)CC(C=C)(C1)CC(C=C)(C2)C3
InChIInChI=1S/C18H24/c1-5-15-9-16(6-2)12-17(7-3,10-15)14-18(8-4,11-15)13-16/h5-8H,1-4,9-14H2
InChIKeyCBYUNFOOVVQCLO-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Vinyladamantane
CID 570934
1-Ethyl-3-vinyl-adamantane
CID 595127
1-Allyladamantane
CID 10954060
2,2-Divinyladamantane
CID 15359287
1-[(E)-3,3-dimethylbut-1-enyl]adamantane
CID 12701266
2-(1-Adamantyl)-1,3-butadiene
CID 13285086
1,3-Divinyladamantane
CID 13547479
Diallyladamantane
CID 129774100
Divinyladamantane
CID 129774107
1-But-3-enyladamantane
CID 134862497
1-Propyl-3-(propen-1-yl)adamantane
CID 5374424
1,3-Di(propen-1-yl)adamantane
CID 5376136

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrakis(ethenyl)adamantane?
The IUPAC name of 1,3,5,7-tetrakis(ethenyl)adamantane (CID 13024226) is 1,3,5,7-tetrakis(ethenyl)adamantane.
What is the SMILES notation for 1,3,5,7-tetrakis(ethenyl)adamantane?
The canonical SMILES for 1,3,5,7-tetrakis(ethenyl)adamantane is C=CC12CC3(C=C)CC(C=C)(C1)CC(C=C)(C2)C3.
What is the InChIKey of 1,3,5,7-tetrakis(ethenyl)adamantane?
The InChIKey is CBYUNFOOVVQCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-5-15-9-16(6-2)12-17(7-3,10-15)14-18(8-4,11-15)13-16/h5-8H,1-4,9-14H2.
What are the key properties of 1,3,5,7-tetrakis(ethenyl)adamantane?
1,3,5,7-tetrakis(ethenyl)adamantane has a molecular weight of 240.39 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrakis(ethenyl)adamantane is sourced from PubChem (CID 13024226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).