1,3-bis(prop-2-enyl)adamantane

C16H24 — CID 12794378

IUPAC1,3-bis(prop-2-enyl)adamantane
SMILESC=CCC12CC3CC(C1)CC(CC=C)(C3)C2
InChIInChI=1S/C16H24/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyLJLQAUPHHUVKQK-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.73
Rot. Bonds4

About 1,3-bis(prop-2-enyl)adamantane

1,3-bis(prop-2-enyl)adamantane (PubChem CID 12794378) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)adamantane.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)adamantane
PubChem CID12794378
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,3-bis(prop-2-enyl)adamantane
SMILESC=CCC12CC3CC(C1)CC(CC=C)(C3)C2
InChIInChI=1S/C16H24/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyLJLQAUPHHUVKQK-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.73
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-bis(prop-2-enyl)adamantane?
The IUPAC name of 1,3-bis(prop-2-enyl)adamantane (CID 12794378) is 1,3-bis(prop-2-enyl)adamantane.
What is the SMILES notation for 1,3-bis(prop-2-enyl)adamantane?
The canonical SMILES for 1,3-bis(prop-2-enyl)adamantane is C=CCC12CC3CC(C1)CC(CC=C)(C3)C2.
What is the InChIKey of 1,3-bis(prop-2-enyl)adamantane?
The InChIKey is LJLQAUPHHUVKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3-4,13-14H,1-2,5-12H2.
What are the key properties of 1,3-bis(prop-2-enyl)adamantane?
1,3-bis(prop-2-enyl)adamantane has a molecular weight of 216.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)adamantane is sourced from PubChem (CID 12794378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).