3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

C14H15P — CID 177264730

IUPAC3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILESCc1ccc2cccc3c2c1CP(C)C3
InChIInChI=1S/C14H15P/c1-10-6-7-11-4-3-5-12-8-15(2)9-13(10)14(11)12/h3-7H,8-9H2,1-2H3
InChIKeyGVZGVYCCIKKQAX-UHFFFAOYSA-N
MW214.25 g/mol
LogP4.27
Rot. Bonds

About 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (PubChem CID 177264730) has the molecular formula C14H15P and a molecular weight of 214.25 g/mol. Its IUPAC name is 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.

Molecular Properties

Compound Name3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
PubChem CID177264730
Molecular FormulaC14H15P
Molecular Weight214.25 g/mol
Exact Mass214.09
IUPAC Name3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILESCc1ccc2cccc3c2c1CP(C)C3
InChIInChI=1S/C14H15P/c1-10-6-7-11-4-3-5-12-8-15(2)9-13(10)14(11)12/h3-7H,8-9H2,1-2H3
InChIKeyGVZGVYCCIKKQAX-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The IUPAC name of 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (CID 177264730) is 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.
What is the SMILES notation for 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The canonical SMILES for 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is Cc1ccc2cccc3c2c1CP(C)C3.
What is the InChIKey of 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The InChIKey is GVZGVYCCIKKQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15P/c1-10-6-7-11-4-3-5-12-8-15(2)9-13(10)14(11)12/h3-7H,8-9H2,1-2H3.
What are the key properties of 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene has a molecular weight of 214.25 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is sourced from PubChem (CID 177264730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).