(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane

C8H13P — CID 126626959

IUPAC(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
SMILESCC1(P)CC2C=CC1C2
InChIInChI=1S/C8H13P/c1-8(9)5-6-2-3-7(8)4-6/h2-3,6-7H,4-5,9H2,1H3
InChIKeyABTUPVAWTBMFRT-UHFFFAOYSA-N
MW140.17 g/mol
LogP2.22
Rot. Bonds

About (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane

(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane (PubChem CID 126626959) has the molecular formula C8H13P and a molecular weight of 140.17 g/mol. Its IUPAC name is (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane.

Molecular Properties

Compound Name(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
PubChem CID126626959
Molecular FormulaC8H13P
Molecular Weight140.17 g/mol
Exact Mass140.08
IUPAC Name(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
SMILESCC1(P)CC2C=CC1C2
InChIInChI=1S/C8H13P/c1-8(9)5-6-2-3-7(8)4-6/h2-3,6-7H,4-5,9H2,1H3
InChIKeyABTUPVAWTBMFRT-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 ≤ 500140.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane?
The IUPAC name of (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane (CID 126626959) is (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane.
What is the SMILES notation for (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane?
The canonical SMILES for (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane is CC1(P)CC2C=CC1C2.
What is the InChIKey of (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane?
The InChIKey is ABTUPVAWTBMFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13P/c1-8(9)5-6-2-3-7(8)4-6/h2-3,6-7H,4-5,9H2,1H3.
What are the key properties of (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane?
(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane has a molecular weight of 140.17 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 (2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane is sourced from PubChem (CID 126626959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).