4-methyl-1,3,2-dioxaphosphinane

C4H9O2P — CID 16694820

IUPAC4-methyl-1,3,2-dioxaphosphinane
SMILESCC1CCOPO1
InChIInChI=1S/C4H9O2P/c1-4-2-3-5-7-6-4/h4,7H,2-3H2,1H3
InChIKeyMQJNFEKIFSOYNK-UHFFFAOYSA-N
MW120.09 g/mol
LogP1.32
Rot. Bonds

About 4-methyl-1,3,2-dioxaphosphinane

4-methyl-1,3,2-dioxaphosphinane (PubChem CID 16694820) has the molecular formula C4H9O2P and a molecular weight of 120.09 g/mol. Its IUPAC name is 4-methyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name4-methyl-1,3,2-dioxaphosphinane
PubChem CID16694820
Molecular FormulaC4H9O2P
Molecular Weight120.09 g/mol
Exact Mass120.03
IUPAC Name4-methyl-1,3,2-dioxaphosphinane
SMILESCC1CCOPO1
InChIInChI=1S/C4H9O2P/c1-4-2-3-5-7-6-4/h4,7H,2-3H2,1H3
InChIKeyMQJNFEKIFSOYNK-UHFFFAOYSA-N
XLogP1.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-chloro-4-methyl-
CID 138736
2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 141852
2-Methoxy-4,6-dimethyl-1,3,2-dioxaphosphinane
CID 139069
2,4-Dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 12545028
2-Fluoro-4-methyl-1,3,2-dioxaphosphinane
CID 12730251
2,4-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 132073990
(2R*,4S*)-2,4-Dimethyl-[1,3,2]dioxaphosphinane 2-oxide
CID 12545030
(4s)-2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 129881553
4-Methyl-2-oxo-1,3,2-dioxaphosphinan-2-ium
CID 12754322
2-Ethoxy-4-methyl-1,3,2-dioxaphosphinane
CID 12911267
Propyl 1-methyltrimethylene phosphite
CID 91988865
(2R,4S)-2-Fluoro-4-methyl-[1,3,2]dioxaphosphinane 2-sulfide
CID 23416230

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,2-dioxaphosphinane?
The IUPAC name of 4-methyl-1,3,2-dioxaphosphinane (CID 16694820) is 4-methyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 4-methyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 4-methyl-1,3,2-dioxaphosphinane is CC1CCOPO1.
What is the InChIKey of 4-methyl-1,3,2-dioxaphosphinane?
The InChIKey is MQJNFEKIFSOYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2P/c1-4-2-3-5-7-6-4/h4,7H,2-3H2,1H3.
What are the key properties of 4-methyl-1,3,2-dioxaphosphinane?
4-methyl-1,3,2-dioxaphosphinane has a molecular weight of 120.09 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 16694820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).