7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane

C19H21P — CID 13406447

IUPAC7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)C2C3CCCCC32)cc1
InChIInChI=1S/C19H21P/c1-3-9-15(10-4-1)20(16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)19/h1-6,9-12,17-19H,7-8,13-14H2
InChIKeyYYZDMQSFSZFVPK-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.31
Rot. Bonds3

About 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane

7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane (PubChem CID 13406447) has the molecular formula C19H21P and a molecular weight of 280.35 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
PubChem CID13406447
Molecular FormulaC19H21P
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)C2C3CCCCC32)cc1
InChIInChI=1S/C19H21P/c1-3-9-15(10-4-1)20(16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)19/h1-6,9-12,17-19H,7-8,13-14H2
InChIKeyYYZDMQSFSZFVPK-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.31
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

[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
cyclononyl(diphenyl)phosphane
CID 70908257
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
2-diphenylphosphanylcyclohexan-1-ol
CID 15198683
2-diphenylphosphanylcyclohexane-1-thiol
CID 132606226
(1R)-2-diphenylphosphanylcyclohexan-1-amine
CID 155884941
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
CID 117070680
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
CID 11079317
CID 11079317

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane (CID 13406447) is 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane is c1ccc(P(c2ccccc2)C2C3CCCCC32)cc1.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane?
The InChIKey is YYZDMQSFSZFVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21P/c1-3-9-15(10-4-1)20(16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)19/h1-6,9-12,17-19H,7-8,13-14H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane?
7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane has a molecular weight of 280.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane is sourced from PubChem (CID 13406447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).