1-(cyclohexen-1-yl)adamantane

C16H24 — CID 584505

IUPAC1-(cyclohexen-1-yl)adamantane
SMILESC1=C(C23CC4CC(CC(C4)C2)C3)CCCC1
InChIInChI=1S/C16H24/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h4,12-14H,1-3,5-11H2
InChIKeyXUYIJVAWBBIZSC-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.70
Rot. Bonds1

About 1-(cyclohexen-1-yl)adamantane

1-(cyclohexen-1-yl)adamantane (PubChem CID 584505) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)adamantane.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)adamantane
PubChem CID584505
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-(cyclohexen-1-yl)adamantane
SMILESC1=C(C23CC4CC(CC(C4)C2)C3)CCCC1
InChIInChI=1S/C16H24/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h4,12-14H,1-3,5-11H2
InChIKeyXUYIJVAWBBIZSC-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.70
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-(cyclohexen-1-yl)adamantane?
The IUPAC name of 1-(cyclohexen-1-yl)adamantane (CID 584505) is 1-(cyclohexen-1-yl)adamantane.
What is the SMILES notation for 1-(cyclohexen-1-yl)adamantane?
The canonical SMILES for 1-(cyclohexen-1-yl)adamantane is C1=C(C23CC4CC(CC(C4)C2)C3)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)adamantane?
The InChIKey is XUYIJVAWBBIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h4,12-14H,1-3,5-11H2.
What are the key properties of 1-(cyclohexen-1-yl)adamantane?
1-(cyclohexen-1-yl)adamantane has a molecular weight of 216.37 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)adamantane is sourced from PubChem (CID 584505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).