1-ethyl-3-[(E)-prop-1-enyl]adamantane

C15H24 — CID 5374456

IUPAC1-ethyl-3-[(E)-prop-1-enyl]adamantane
SMILESC/C=C/C12CC3CC(C1)CC(CC)(C3)C2
InChIInChI=1S/C15H24/c1-3-5-15-9-12-6-13(10-15)8-14(4-2,7-12)11-15/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+
InChIKeySFGZCRQQFYLLDX-HWKANZROSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds2

About 1-ethyl-3-[(E)-prop-1-enyl]adamantane

1-ethyl-3-[(E)-prop-1-enyl]adamantane (PubChem CID 5374456) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-prop-1-enyl]adamantane.

Molecular Properties

Compound Name1-ethyl-3-[(E)-prop-1-enyl]adamantane
PubChem CID5374456
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-ethyl-3-[(E)-prop-1-enyl]adamantane
SMILESC/C=C/C12CC3CC(C1)CC(CC)(C3)C2
InChIInChI=1S/C15H24/c1-3-5-15-9-12-6-13(10-15)8-14(4-2,7-12)11-15/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+
InChIKeySFGZCRQQFYLLDX-HWKANZROSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.56
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-ethyl-3-[(E)-prop-1-enyl]adamantane?
The IUPAC name of 1-ethyl-3-[(E)-prop-1-enyl]adamantane (CID 5374456) is 1-ethyl-3-[(E)-prop-1-enyl]adamantane.
What is the SMILES notation for 1-ethyl-3-[(E)-prop-1-enyl]adamantane?
The canonical SMILES for 1-ethyl-3-[(E)-prop-1-enyl]adamantane is C/C=C/C12CC3CC(C1)CC(CC)(C3)C2.
What is the InChIKey of 1-ethyl-3-[(E)-prop-1-enyl]adamantane?
The InChIKey is SFGZCRQQFYLLDX-HWKANZROSA-N. The full InChI is InChI=1S/C15H24/c1-3-5-15-9-12-6-13(10-15)8-14(4-2,7-12)11-15/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+.
What are the key properties of 1-ethyl-3-[(E)-prop-1-enyl]adamantane?
1-ethyl-3-[(E)-prop-1-enyl]adamantane has a molecular weight of 204.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-prop-1-enyl]adamantane is sourced from PubChem (CID 5374456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).