3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole

C10H19O2P — CID 71389047

IUPAC3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole
SMILESCC1=CC(C)(C)P(OC(C)(C)C)O1
InChIInChI=1S/C10H19O2P/c1-8-7-10(5,6)13(11-8)12-9(2,3)4/h7H,1-6H3
InChIKeyZBLZUIWSKQLXHP-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.83
Rot. Bonds1

About 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole

3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole (PubChem CID 71389047) has the molecular formula C10H19O2P and a molecular weight of 202.23 g/mol. Its IUPAC name is 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole.

Molecular Properties

Compound Name3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole
PubChem CID71389047
Molecular FormulaC10H19O2P
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole
SMILESCC1=CC(C)(C)P(OC(C)(C)C)O1
InChIInChI=1S/C10H19O2P/c1-8-7-10(5,6)13(11-8)12-9(2,3)4/h7H,1-6H3
InChIKeyZBLZUIWSKQLXHP-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.83
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 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole?
The IUPAC name of 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole (CID 71389047) is 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole.
What is the SMILES notation for 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole?
The canonical SMILES for 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole is CC1=CC(C)(C)P(OC(C)(C)C)O1.
What is the InChIKey of 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole?
The InChIKey is ZBLZUIWSKQLXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O2P/c1-8-7-10(5,6)13(11-8)12-9(2,3)4/h7H,1-6H3.
What are the key properties of 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole?
3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole has a molecular weight of 202.23 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxaphosphole is sourced from PubChem (CID 71389047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).