2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole

C10H19O4P — CID 23418981

IUPAC2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole
SMILESC=C1C=C(C(C)C)OP1(OC)(OC)OC
InChIInChI=1S/C10H19O4P/c1-8(2)10-7-9(3)15(11-4,12-5,13-6)14-10/h7-8H,3H2,1-2,4-6H3
InChIKeyPKQZNLDDWJLSDT-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.22
Rot. Bonds4

About 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole

2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole (PubChem CID 23418981) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole.

Molecular Properties

Compound Name2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole
PubChem CID23418981
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole
SMILESC=C1C=C(C(C)C)OP1(OC)(OC)OC
InChIInChI=1S/C10H19O4P/c1-8(2)10-7-9(3)15(11-4,12-5,13-6)14-10/h7-8H,3H2,1-2,4-6H3
InChIKeyPKQZNLDDWJLSDT-UHFFFAOYSA-N
XLogP3.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-Butoxy-3,3,5-trimethyl-2,3-dihydro-1,2-oxaphosphole
CID 71389047
3,3,5-Trimethyl-2-[(propan-2-yl)oxy]-2,3-dihydro-1,2-oxaphosphole
CID 71389048
3,3,5-Trimethyl-2-propoxy-2,3-dihydro-1,2-oxaphosphole
CID 71389049
diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite
CID 58067917
1,2-Oxaphosphole, 2-ethoxy-2,3-dihydro-3,3,5-trimethyl-
CID 2784496
Carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite
CID 11001589
diethyl [(2E,4E)-6-methylhepta-2,4-dien-2-yl] phosphate
CID 13156808
5-Methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5lambda5-phosphaspiro[4.4]non-7-ene
CID 23280171
Diethyl 6-methylhepta-2,4-dien-2-yl phosphate
CID 71319603

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole?
The IUPAC name of 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole (CID 23418981) is 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole.
What is the SMILES notation for 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole?
The canonical SMILES for 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole is C=C1C=C(C(C)C)OP1(OC)(OC)OC.
What is the InChIKey of 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole?
The InChIKey is PKQZNLDDWJLSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-8(2)10-7-9(3)15(11-4,12-5,13-6)14-10/h7-8H,3H2,1-2,4-6H3.
What are the key properties of 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole?
2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole has a molecular weight of 234.23 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trimethoxy-3-methylidene-5-propan-2-yl-1,2λ5-oxaphosphole is sourced from PubChem (CID 23418981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).