pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene

C12H12 — CID 134993903

IUPACpentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene
SMILESC1=C2C1C1CC1C1C=C1C1CC21
InChIInChI=1S/C12H12/c1-5-6(1)8-3-10(8)12-4-11(12)9-2-7(5)9/h1,4-5,7-11H,2-3H2
InChIKeySADWSKIGSFBXFP-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.38
Rot. Bonds

About pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene

pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene (PubChem CID 134993903) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene.

Molecular Properties

Compound Namepentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene
PubChem CID134993903
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Namepentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene
SMILESC1=C2C1C1CC1C1C=C1C1CC21
InChIInChI=1S/C12H12/c1-5-6(1)8-3-10(8)12-4-11(12)9-2-7(5)9/h1,4-5,7-11H,2-3H2
InChIKeySADWSKIGSFBXFP-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene?
The IUPAC name of pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene (CID 134993903) is pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene.
What is the SMILES notation for pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene?
The canonical SMILES for pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene is C1=C2C1C1CC1C1C=C1C1CC21.
What is the InChIKey of pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene?
The InChIKey is SADWSKIGSFBXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-5-6(1)8-3-10(8)12-4-11(12)9-2-7(5)9/h1,4-5,7-11H,2-3H2.
What are the key properties of pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene?
pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene has a molecular weight of 156.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.1.0.02,4.05,7.08,10]dodeca-1(12),5-diene is sourced from PubChem (CID 134993903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).