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

C22H33O2P — CID 11078910

IUPACdicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane
SMILESCC1(c2ccccc2P(C2CCCCC2)C2CCCCC2)OCCO1
InChIInChI=1S/C22H33O2P/c1-22(23-16-17-24-22)20-14-8-9-15-21(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3
InChIKeyZQASITYRQOCACA-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.68
Rot. Bonds4

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

dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane (PubChem CID 11078910) has the molecular formula C22H33O2P and a molecular weight of 360.48 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane
PubChem CID11078910
Molecular FormulaC22H33O2P
Molecular Weight360.48 g/mol
Exact Mass360.22
IUPAC Namedicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane
SMILESCC1(c2ccccc2P(C2CCCCC2)C2CCCCC2)OCCO1
InChIInChI=1S/C22H33O2P/c1-22(23-16-17-24-22)20-14-8-9-15-21(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3
InChIKeyZQASITYRQOCACA-UHFFFAOYSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.68
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-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane (CID 11078910) is dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane is CC1(c2ccccc2P(C2CCCCC2)C2CCCCC2)OCCO1.
What is the InChIKey of dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane?
The InChIKey is ZQASITYRQOCACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33O2P/c1-22(23-16-17-24-22)20-14-8-9-15-21(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3.
What are the key properties of dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane?
dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane has a molecular weight of 360.48 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane is sourced from PubChem (CID 11078910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).