1-[(E)-but-2-en-2-yl]adamantane

C14H22 — CID 13086468

IUPAC1-[(E)-but-2-en-2-yl]adamantane
SMILESC/C=C(\C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h3,11-13H,4-9H2,1-2H3/b10-3+
InChIKeyIMBSDVZAEABCOK-XCVCLJGOSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]adamantane

1-[(E)-but-2-en-2-yl]adamantane (PubChem CID 13086468) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]adamantane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]adamantane
PubChem CID13086468
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-[(E)-but-2-en-2-yl]adamantane
SMILESC/C=C(\C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h3,11-13H,4-9H2,1-2H3/b10-3+
InChIKeyIMBSDVZAEABCOK-XCVCLJGOSA-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-[(E)-but-2-en-2-yl]adamantane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]adamantane (CID 13086468) is 1-[(E)-but-2-en-2-yl]adamantane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]adamantane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]adamantane is C/C=C(\C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]adamantane?
The InChIKey is IMBSDVZAEABCOK-XCVCLJGOSA-N. The full InChI is InChI=1S/C14H22/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h3,11-13H,4-9H2,1-2H3/b10-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]adamantane?
1-[(E)-but-2-en-2-yl]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-[(E)-but-2-en-2-yl]adamantane is sourced from PubChem (CID 13086468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).