dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane

C23H33P — CID 21096503

IUPACdicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane
SMILESCc1ccc(C)c2c1C=C(P(C1CCCCC1)C1CCCCC1)C2
InChIInChI=1S/C23H33P/c1-17-13-14-18(2)23-16-21(15-22(17)23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-15,19-20H,3-12,16H2,1-2H3
InChIKeyVXJUDXOSORULQG-UHFFFAOYSA-N
MW340.49 g/mol
LogP7.35
Rot. Bonds3

About dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane

dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane (PubChem CID 21096503) has the molecular formula C23H33P and a molecular weight of 340.49 g/mol. Its IUPAC name is dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane
PubChem CID21096503
Molecular FormulaC23H33P
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC Namedicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane
SMILESCc1ccc(C)c2c1C=C(P(C1CCCCC1)C1CCCCC1)C2
InChIInChI=1S/C23H33P/c1-17-13-14-18(2)23-16-21(15-22(17)23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-15,19-20H,3-12,16H2,1-2H3
InChIKeyVXJUDXOSORULQG-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane?
The IUPAC name of dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane (CID 21096503) is dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane.
What is the SMILES notation for dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane?
The canonical SMILES for dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane is Cc1ccc(C)c2c1C=C(P(C1CCCCC1)C1CCCCC1)C2.
What is the InChIKey of dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane?
The InChIKey is VXJUDXOSORULQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33P/c1-17-13-14-18(2)23-16-21(15-22(17)23)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-15,19-20H,3-12,16H2,1-2H3.
What are the key properties of dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane?
dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane has a molecular weight of 340.49 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane is sourced from PubChem (CID 21096503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).