phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane

C10H20OP2 — CID 176624646

IUPACphosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane
SMILESCC1=C(COPP)CCC(C)(C)C1
InChIInChI=1S/C10H20OP2/c1-8-6-10(2,3)5-4-9(8)7-11-13-12/h13H,4-7,12H2,1-3H3
InChIKeyCHVYNEHSRQYIPJ-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.91
Rot. Bonds3

About phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane

phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane (PubChem CID 176624646) has the molecular formula C10H20OP2 and a molecular weight of 218.22 g/mol. Its IUPAC name is phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane.

Molecular Properties

Compound Namephosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane
PubChem CID176624646
Molecular FormulaC10H20OP2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Namephosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane
SMILESCC1=C(COPP)CCC(C)(C)C1
InChIInChI=1S/C10H20OP2/c1-8-6-10(2,3)5-4-9(8)7-11-13-12/h13H,4-7,12H2,1-3H3
InChIKeyCHVYNEHSRQYIPJ-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane?
The IUPAC name of phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane (CID 176624646) is phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane.
What is the SMILES notation for phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane?
The canonical SMILES for phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane is CC1=C(COPP)CCC(C)(C)C1.
What is the InChIKey of phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane?
The InChIKey is CHVYNEHSRQYIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OP2/c1-8-6-10(2,3)5-4-9(8)7-11-13-12/h13H,4-7,12H2,1-3H3.
What are the key properties of phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane?
phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane has a molecular weight of 218.22 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphane is sourced from PubChem (CID 176624646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).