7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene

C8H11P — CID 134853757

IUPAC7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene
SMILESCP1CC2C=CC=CC21
InChIInChI=1S/C8H11P/c1-9-6-7-4-2-3-5-8(7)9/h2-5,7-8H,6H2,1H3
InChIKeyMOTJRKBNIQBJNP-UHFFFAOYSA-N
MW138.15 g/mol
LogP2.22
Rot. Bonds

About 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene

7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene (PubChem CID 134853757) has the molecular formula C8H11P and a molecular weight of 138.15 g/mol. Its IUPAC name is 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene.

Molecular Properties

Compound Name7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene
PubChem CID134853757
Molecular FormulaC8H11P
Molecular Weight138.15 g/mol
Exact Mass138.06
IUPAC Name7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene
SMILESCP1CC2C=CC=CC21
InChIInChI=1S/C8H11P/c1-9-6-7-4-2-3-5-8(7)9/h2-5,7-8H,6H2,1H3
InChIKeyMOTJRKBNIQBJNP-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 52.22
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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7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
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CID 67958477
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CID 91335355
(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140862858
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CID 101482142
5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene?
The IUPAC name of 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene (CID 134853757) is 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene.
What is the SMILES notation for 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene?
The canonical SMILES for 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene is CP1CC2C=CC=CC21.
What is the InChIKey of 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene?
The InChIKey is MOTJRKBNIQBJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11P/c1-9-6-7-4-2-3-5-8(7)9/h2-5,7-8H,6H2,1H3.
What are the key properties of 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene?
7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene has a molecular weight of 138.15 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-phosphabicyclo[4.2.0]octa-2,4-diene is sourced from PubChem (CID 134853757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).