spiro[4.7]dodeca-1,3-diene

C12H18 — CID 59742087

IUPACspiro[4.7]dodeca-1,3-diene
SMILESC1=CC2(C=C1)CCCCCCC2
InChIInChI=1S/C12H18/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7,10-11H,1-5,8-9H2
InChIKeyIHOMBXDJZGUEFF-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds

About spiro[4.7]dodeca-1,3-diene

spiro[4.7]dodeca-1,3-diene (PubChem CID 59742087) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is spiro[4.7]dodeca-1,3-diene.

Molecular Properties

Compound Namespiro[4.7]dodeca-1,3-diene
PubChem CID59742087
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Namespiro[4.7]dodeca-1,3-diene
SMILESC1=CC2(C=C1)CCCCCCC2
InChIInChI=1S/C12H18/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7,10-11H,1-5,8-9H2
InChIKeyIHOMBXDJZGUEFF-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze spiro[4.7]dodeca-1,3-diene 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 spiro[4.7]dodeca-1,3-diene?
The IUPAC name of spiro[4.7]dodeca-1,3-diene (CID 59742087) is spiro[4.7]dodeca-1,3-diene.
What is the SMILES notation for spiro[4.7]dodeca-1,3-diene?
The canonical SMILES for spiro[4.7]dodeca-1,3-diene is C1=CC2(C=C1)CCCCCCC2.
What is the InChIKey of spiro[4.7]dodeca-1,3-diene?
The InChIKey is IHOMBXDJZGUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7,10-11H,1-5,8-9H2.
What are the key properties of spiro[4.7]dodeca-1,3-diene?
spiro[4.7]dodeca-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.7]dodeca-1,3-diene is sourced from PubChem (CID 59742087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).