[1,2-di(propan-2-yl)cyclohexyl]phosphane

C12H25P — CID 66647929

IUPAC[1,2-di(propan-2-yl)cyclohexyl]phosphane
SMILESCC(C)C1CCCCC1(P)C(C)C
InChIInChI=1S/C12H25P/c1-9(2)11-7-5-6-8-12(11,13)10(3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyMZGDWGXQAAJFQG-UHFFFAOYSA-N
MW200.31 g/mol
LogP4.10
Rot. Bonds2

About [1,2-di(propan-2-yl)cyclohexyl]phosphane

[1,2-di(propan-2-yl)cyclohexyl]phosphane (PubChem CID 66647929) has the molecular formula C12H25P and a molecular weight of 200.31 g/mol. Its IUPAC name is [1,2-di(propan-2-yl)cyclohexyl]phosphane.

Molecular Properties

Compound Name[1,2-di(propan-2-yl)cyclohexyl]phosphane
PubChem CID66647929
Molecular FormulaC12H25P
Molecular Weight200.31 g/mol
Exact Mass200.17
IUPAC Name[1,2-di(propan-2-yl)cyclohexyl]phosphane
SMILESCC(C)C1CCCCC1(P)C(C)C
InChIInChI=1S/C12H25P/c1-9(2)11-7-5-6-8-12(11,13)10(3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyMZGDWGXQAAJFQG-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 54.10
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 [1,2-di(propan-2-yl)cyclohexyl]phosphane?
The IUPAC name of [1,2-di(propan-2-yl)cyclohexyl]phosphane (CID 66647929) is [1,2-di(propan-2-yl)cyclohexyl]phosphane.
What is the SMILES notation for [1,2-di(propan-2-yl)cyclohexyl]phosphane?
The canonical SMILES for [1,2-di(propan-2-yl)cyclohexyl]phosphane is CC(C)C1CCCCC1(P)C(C)C.
What is the InChIKey of [1,2-di(propan-2-yl)cyclohexyl]phosphane?
The InChIKey is MZGDWGXQAAJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25P/c1-9(2)11-7-5-6-8-12(11,13)10(3)4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of [1,2-di(propan-2-yl)cyclohexyl]phosphane?
[1,2-di(propan-2-yl)cyclohexyl]phosphane has a molecular weight of 200.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-di(propan-2-yl)cyclohexyl]phosphane is sourced from PubChem (CID 66647929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).