8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane

C15H22O — CID 20676848

IUPAC8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane
SMILESC=C(C)C(=C)OC1CC2CC1C1CCCC21
InChIInChI=1S/C15H22O/c1-9(2)10(3)16-15-8-11-7-14(15)13-6-4-5-12(11)13/h11-15H,1,3-8H2,2H3
InChIKeyUUEQFVNHXZPGPO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.92
Rot. Bonds3

About 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane

8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane (PubChem CID 20676848) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane
PubChem CID20676848
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane
SMILESC=C(C)C(=C)OC1CC2CC1C1CCCC21
InChIInChI=1S/C15H22O/c1-9(2)10(3)16-15-8-11-7-14(15)13-6-4-5-12(11)13/h11-15H,1,3-8H2,2H3
InChIKeyUUEQFVNHXZPGPO-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane 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 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane (CID 20676848) is 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane is C=C(C)C(=C)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane?
The InChIKey is UUEQFVNHXZPGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)10(3)16-15-8-11-7-14(15)13-6-4-5-12(11)13/h11-15H,1,3-8H2,2H3.
What are the key properties of 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane?
8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane has a molecular weight of 218.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbuta-1,3-dien-2-yloxy)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 20676848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).