1-buta-1,3-dien-2-yladamantane

C14H20 — CID 13285086

IUPAC1-buta-1,3-dien-2-yladamantane
SMILESC=CC(=C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h3,11-13H,1-2,4-9H2
InChIKeyHFKRVVAEXJSYPZ-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.94
Rot. Bonds2

About 1-buta-1,3-dien-2-yladamantane

1-buta-1,3-dien-2-yladamantane (PubChem CID 13285086) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yladamantane.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yladamantane
PubChem CID13285086
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-buta-1,3-dien-2-yladamantane
SMILESC=CC(=C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h3,11-13H,1-2,4-9H2
InChIKeyHFKRVVAEXJSYPZ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-buta-1,3-dien-2-yladamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yladamantane?
The IUPAC name of 1-buta-1,3-dien-2-yladamantane (CID 13285086) is 1-buta-1,3-dien-2-yladamantane.
What is the SMILES notation for 1-buta-1,3-dien-2-yladamantane?
The canonical SMILES for 1-buta-1,3-dien-2-yladamantane is C=CC(=C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-buta-1,3-dien-2-yladamantane?
The InChIKey is HFKRVVAEXJSYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-10(2)14-7-11-4-12(8-14)6-13(5-11)9-14/h3,11-13H,1-2,4-9H2.
What are the key properties of 1-buta-1,3-dien-2-yladamantane?
1-buta-1,3-dien-2-yladamantane has a molecular weight of 188.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yladamantane is sourced from PubChem (CID 13285086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).