3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde

C9H17O4P — CID 20576711

IUPAC3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde
SMILESCOC1C(C=O)OCC(C)C1OPC
InChIInChI=1S/C9H17O4P/c1-6-5-12-7(4-10)9(11-2)8(6)13-14-3/h4,6-9,14H,5H2,1-3H3
InChIKeyOXDZHZGVNUZEMB-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.84
Rot. Bonds4

About 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde

3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde (PubChem CID 20576711) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde
PubChem CID20576711
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde
SMILESCOC1C(C=O)OCC(C)C1OPC
InChIInChI=1S/C9H17O4P/c1-6-5-12-7(4-10)9(11-2)8(6)13-14-3/h4,6-9,14H,5H2,1-3H3
InChIKeyOXDZHZGVNUZEMB-UHFFFAOYSA-N
XLogP0.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde?
The IUPAC name of 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde (CID 20576711) is 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde.
What is the SMILES notation for 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde?
The canonical SMILES for 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde is COC1C(C=O)OCC(C)C1OPC.
What is the InChIKey of 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde?
The InChIKey is OXDZHZGVNUZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-6-5-12-7(4-10)9(11-2)8(6)13-14-3/h4,6-9,14H,5H2,1-3H3.
What are the key properties of 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde?
3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde has a molecular weight of 220.20 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-4-methylphosphanyloxyoxane-2-carbaldehyde is sourced from PubChem (CID 20576711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).