1,3-dimethyl-5-prop-2-enoxyadamantane

C15H24O — CID 68810446

IUPAC1,3-dimethyl-5-prop-2-enoxyadamantane
SMILESC=CCOC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H24O/c1-4-5-16-15-8-12-6-13(2,10-15)9-14(3,7-12)11-15/h4,12H,1,5-11H2,2-3H3
InChIKeyQPBLLCSECRLENE-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds3

About 1,3-dimethyl-5-prop-2-enoxyadamantane

1,3-dimethyl-5-prop-2-enoxyadamantane (PubChem CID 68810446) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-prop-2-enoxyadamantane.

Molecular Properties

Compound Name1,3-dimethyl-5-prop-2-enoxyadamantane
PubChem CID68810446
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,3-dimethyl-5-prop-2-enoxyadamantane
SMILESC=CCOC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H24O/c1-4-5-16-15-8-12-6-13(2,10-15)9-14(3,7-12)11-15/h4,12H,1,5-11H2,2-3H3
InChIKeyQPBLLCSECRLENE-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-prop-2-enoxyadamantane 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 1,3-dimethyl-5-prop-2-enoxyadamantane?
The IUPAC name of 1,3-dimethyl-5-prop-2-enoxyadamantane (CID 68810446) is 1,3-dimethyl-5-prop-2-enoxyadamantane.
What is the SMILES notation for 1,3-dimethyl-5-prop-2-enoxyadamantane?
The canonical SMILES for 1,3-dimethyl-5-prop-2-enoxyadamantane is C=CCOC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1,3-dimethyl-5-prop-2-enoxyadamantane?
The InChIKey is QPBLLCSECRLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-5-16-15-8-12-6-13(2,10-15)9-14(3,7-12)11-15/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 1,3-dimethyl-5-prop-2-enoxyadamantane?
1,3-dimethyl-5-prop-2-enoxyadamantane has a molecular weight of 220.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-prop-2-enoxyadamantane is sourced from PubChem (CID 68810446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).