1-(2-methylprop-1-enyl)adamantane

C14H22 — CID 13086466

IUPAC1-(2-methylprop-1-enyl)adamantane
SMILESCC(C)=CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22/c1-10(2)6-14-7-11-3-12(8-14)5-13(4-11)9-14/h6,11-13H,3-5,7-9H2,1-2H3
InChIKeyIVKRYFVMTHPNIT-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds1

About 1-(2-methylprop-1-enyl)adamantane

1-(2-methylprop-1-enyl)adamantane (PubChem CID 13086466) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)adamantane.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)adamantane
PubChem CID13086466
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-(2-methylprop-1-enyl)adamantane
SMILESCC(C)=CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22/c1-10(2)6-14-7-11-3-12(8-14)5-13(4-11)9-14/h6,11-13H,3-5,7-9H2,1-2H3
InChIKeyIVKRYFVMTHPNIT-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.17
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-(2-methylprop-1-enyl)adamantane?
The IUPAC name of 1-(2-methylprop-1-enyl)adamantane (CID 13086466) is 1-(2-methylprop-1-enyl)adamantane.
What is the SMILES notation for 1-(2-methylprop-1-enyl)adamantane?
The canonical SMILES for 1-(2-methylprop-1-enyl)adamantane is CC(C)=CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-methylprop-1-enyl)adamantane?
The InChIKey is IVKRYFVMTHPNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-10(2)6-14-7-11-3-12(8-14)5-13(4-11)9-14/h6,11-13H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(2-methylprop-1-enyl)adamantane?
1-(2-methylprop-1-enyl)adamantane has a molecular weight of 190.33 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)adamantane is sourced from PubChem (CID 13086466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).