methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane

C17H27P — CID 53438913

IUPACmethyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
SMILESCC(C)C1(C)CCCCC1P(C)c1ccccc1
InChIInChI=1S/C17H27P/c1-14(2)17(3)13-9-8-12-16(17)18(4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3
InChIKeyXPPZCWNWCSGGDB-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.03
Rot. Bonds3

About methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane

methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane (PubChem CID 53438913) has the molecular formula C17H27P and a molecular weight of 262.38 g/mol. Its IUPAC name is methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane.

Molecular Properties

Compound Namemethyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
PubChem CID53438913
Molecular FormulaC17H27P
Molecular Weight262.38 g/mol
Exact Mass262.19
IUPAC Namemethyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane
SMILESCC(C)C1(C)CCCCC1P(C)c1ccccc1
InChIInChI=1S/C17H27P/c1-14(2)17(3)13-9-8-12-16(17)18(4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3
InChIKeyXPPZCWNWCSGGDB-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.03
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 methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The IUPAC name of methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane (CID 53438913) is methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane.
What is the SMILES notation for methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The canonical SMILES for methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane is CC(C)C1(C)CCCCC1P(C)c1ccccc1.
What is the InChIKey of methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
The InChIKey is XPPZCWNWCSGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27P/c1-14(2)17(3)13-9-8-12-16(17)18(4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3.
What are the key properties of methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane?
methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane has a molecular weight of 262.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-2-propan-2-ylcyclohexyl)-phenylphosphane is sourced from PubChem (CID 53438913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).