3,3,5-trimethyl-2-propoxyoxaphosphole

C9H17O2P — CID 71389049

IUPAC3,3,5-trimethyl-2-propoxyoxaphosphole
SMILESCCCOP1OC(C)=CC1(C)C
InChIInChI=1S/C9H17O2P/c1-5-6-10-12-9(3,4)7-8(2)11-12/h7H,5-6H2,1-4H3
InChIKeyOWZQOQLPXFAIDS-UHFFFAOYSA-N
MW188.21 g/mol
LogP3.44
Rot. Bonds3

About 3,3,5-trimethyl-2-propoxyoxaphosphole

3,3,5-trimethyl-2-propoxyoxaphosphole (PubChem CID 71389049) has the molecular formula C9H17O2P and a molecular weight of 188.21 g/mol. Its IUPAC name is 3,3,5-trimethyl-2-propoxyoxaphosphole.

Molecular Properties

Compound Name3,3,5-trimethyl-2-propoxyoxaphosphole
PubChem CID71389049
Molecular FormulaC9H17O2P
Molecular Weight188.21 g/mol
Exact Mass188.10
IUPAC Name3,3,5-trimethyl-2-propoxyoxaphosphole
SMILESCCCOP1OC(C)=CC1(C)C
InChIInChI=1S/C9H17O2P/c1-5-6-10-12-9(3,4)7-8(2)11-12/h7H,5-6H2,1-4H3
InChIKeyOWZQOQLPXFAIDS-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 53.44
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-propoxyoxaphosphole?
The IUPAC name of 3,3,5-trimethyl-2-propoxyoxaphosphole (CID 71389049) is 3,3,5-trimethyl-2-propoxyoxaphosphole.
What is the SMILES notation for 3,3,5-trimethyl-2-propoxyoxaphosphole?
The canonical SMILES for 3,3,5-trimethyl-2-propoxyoxaphosphole is CCCOP1OC(C)=CC1(C)C.
What is the InChIKey of 3,3,5-trimethyl-2-propoxyoxaphosphole?
The InChIKey is OWZQOQLPXFAIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2P/c1-5-6-10-12-9(3,4)7-8(2)11-12/h7H,5-6H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-2-propoxyoxaphosphole?
3,3,5-trimethyl-2-propoxyoxaphosphole has a molecular weight of 188.21 g/mol, XLogP of 3.44, 3 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-propoxyoxaphosphole is sourced from PubChem (CID 71389049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).