3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide

C9H17O2P — CID 23280299

IUPAC3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESCC1=CCP(=O)(OCC(C)C)C1
InChIInChI=1S/C9H17O2P/c1-8(2)6-11-12(10)5-4-9(3)7-12/h4,8H,5-7H2,1-3H3
InChIKeyJDDUJFMRXDRYBA-UHFFFAOYSA-N
MW188.21 g/mol
LogP2.90
Rot. Bonds3

About 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide

3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide (PubChem CID 23280299) has the molecular formula C9H17O2P and a molecular weight of 188.21 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
PubChem CID23280299
Molecular FormulaC9H17O2P
Molecular Weight188.21 g/mol
Exact Mass188.10
IUPAC Name3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESCC1=CCP(=O)(OCC(C)C)C1
InChIInChI=1S/C9H17O2P/c1-8(2)6-11-12(10)5-4-9(3)7-12/h4,8H,5-7H2,1-3H3
InChIKeyJDDUJFMRXDRYBA-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-3-methyl-3-phospholene 1-oxide
CID 97258
Diethyl (2-methylallyl)phosphonate
CID 11008747
1-Butoxy-3-methyl-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
CID 199243
3-Methyl-1-propoxy-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
CID 200903
3-Phospholene, 3-methyl-1-(pentyloxy)-, 1-oxide
CID 200904
Diethyl (3-methylbut-2-en-1-yl)phosphonate
CID 11106521
Ethoxy-(3-methylbut-2-enyl)-oxophosphanium
CID 11147884
1-Ethoxy-3-methyl-2,5-dihydro-1H-1lambda~5~-phosphol-1-one
CID 12753821
Diethyl (2-methylprop-1-en-1-yl)phosphonate
CID 13814071
(E)-1-diethoxyphosphoryl-2-methylbut-2-ene
CID 60075838
1-Diethoxyphosphoryl-4-methylpenta-2,3-diene
CID 12534452
1-Butoxy-3,4-dimethyl-3-phospholene 1-oxide
CID 15739940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide (CID 23280299) is 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide is CC1=CCP(=O)(OCC(C)C)C1.
What is the InChIKey of 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is JDDUJFMRXDRYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2P/c1-8(2)6-11-12(10)5-4-9(3)7-12/h4,8H,5-7H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 188.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropoxy)-2,5-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 23280299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).