1,3,5,7-tetrakis(prop-2-enyl)adamantane

C22H32 — CID 154595702

IUPAC1,3,5,7-tetrakis(prop-2-enyl)adamantane
SMILESC=CCC12CC3(CC=C)CC(CC=C)(C1)CC(CC=C)(C2)C3
InChIInChI=1S/C22H32/c1-5-9-19-13-20(10-6-2)16-21(14-19,11-7-3)18-22(15-19,17-20)12-8-4/h5-8H,1-4,9-18H2
InChIKeyONHUCHSURIGWER-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.62
Rot. Bonds8

About 1,3,5,7-tetrakis(prop-2-enyl)adamantane

1,3,5,7-tetrakis(prop-2-enyl)adamantane (PubChem CID 154595702) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1,3,5,7-tetrakis(prop-2-enyl)adamantane.

Molecular Properties

Compound Name1,3,5,7-tetrakis(prop-2-enyl)adamantane
PubChem CID154595702
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name1,3,5,7-tetrakis(prop-2-enyl)adamantane
SMILESC=CCC12CC3(CC=C)CC(CC=C)(C1)CC(CC=C)(C2)C3
InChIInChI=1S/C22H32/c1-5-9-19-13-20(10-6-2)16-21(14-19,11-7-3)18-22(15-19,17-20)12-8-4/h5-8H,1-4,9-18H2
InChIKeyONHUCHSURIGWER-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrakis(prop-2-enyl)adamantane?
The IUPAC name of 1,3,5,7-tetrakis(prop-2-enyl)adamantane (CID 154595702) is 1,3,5,7-tetrakis(prop-2-enyl)adamantane.
What is the SMILES notation for 1,3,5,7-tetrakis(prop-2-enyl)adamantane?
The canonical SMILES for 1,3,5,7-tetrakis(prop-2-enyl)adamantane is C=CCC12CC3(CC=C)CC(CC=C)(C1)CC(CC=C)(C2)C3.
What is the InChIKey of 1,3,5,7-tetrakis(prop-2-enyl)adamantane?
The InChIKey is ONHUCHSURIGWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-5-9-19-13-20(10-6-2)16-21(14-19,11-7-3)18-22(15-19,17-20)12-8-4/h5-8H,1-4,9-18H2.
What are the key properties of 1,3,5,7-tetrakis(prop-2-enyl)adamantane?
1,3,5,7-tetrakis(prop-2-enyl)adamantane has a molecular weight of 296.50 g/mol, XLogP of 6.62, 8 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(prop-2-enyl)adamantane is sourced from PubChem (CID 154595702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).