dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane

C21H31O2P — CID 10665273

IUPACdicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane
SMILESc1ccc(P(C2CCCCC2)C2CCCCC2)c(C2OCCO2)c1
InChIInChI=1S/C21H31O2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21/h7-8,13-14,17-18,21H,1-6,9-12,15-16H2
InChIKeyDIFRDTMQEINUSG-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.50
Rot. Bonds4

About dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane

dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane (PubChem CID 10665273) has the molecular formula C21H31O2P and a molecular weight of 346.45 g/mol. Its IUPAC name is dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane
PubChem CID10665273
Molecular FormulaC21H31O2P
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Namedicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane
SMILESc1ccc(P(C2CCCCC2)C2CCCCC2)c(C2OCCO2)c1
InChIInChI=1S/C21H31O2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21/h7-8,13-14,17-18,21H,1-6,9-12,15-16H2
InChIKeyDIFRDTMQEINUSG-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(1,3-dioxolan-2-yl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane (CID 10665273) is dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane is c1ccc(P(C2CCCCC2)C2CCCCC2)c(C2OCCO2)c1.
What is the InChIKey of dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane?
The InChIKey is DIFRDTMQEINUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31O2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21/h7-8,13-14,17-18,21H,1-6,9-12,15-16H2.
What are the key properties of dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane?
dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane has a molecular weight of 346.45 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(1,3-dioxolan-2-yl)phenyl]phosphane is sourced from PubChem (CID 10665273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).