5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene

C12H15O5P — CID 23418141

IUPAC5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
SMILESCOP12(OCCO1)OC(C)=C(c1ccccc1)O2
InChIInChI=1S/C12H15O5P/c1-10-12(11-6-4-3-5-7-11)17-18(13-2,16-10)14-8-9-15-18/h3-7H,8-9H2,1-2H3
InChIKeyNYBKMESLRLVUPU-UHFFFAOYSA-N
MW270.22 g/mol
LogP3.24
Rot. Bonds2

About 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene

5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene (PubChem CID 23418141) has the molecular formula C12H15O5P and a molecular weight of 270.22 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
PubChem CID23418141
Molecular FormulaC12H15O5P
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Name5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
SMILESCOP12(OCCO1)OC(C)=C(c1ccccc1)O2
InChIInChI=1S/C12H15O5P/c1-10-12(11-6-4-3-5-7-11)17-18(13-2,16-10)14-8-9-15-18/h3-7H,8-9H2,1-2H3
InChIKeyNYBKMESLRLVUPU-UHFFFAOYSA-N
XLogP3.24
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole
CID 23413150
2,5-dimethyl-3,6-diphenyl-1,4-dioxine
CID 86144116
2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]
CID 23269634
N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine
CID 23418265
3,3-dimethyl-5-phenoxy-7,8-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-7-en-2-one
CID 23416904
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;methoxyphosphane
CID 69051753
CID 23417331
CID 23417331
2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]
CID 12668363
2,2-dimethoxy-4,5-diphenyl-3-oxa-1,7-diaza-2λ5-phosphatricyclo[6.4.0.02,6]dodeca-4,7,9,11-tetraene
CID 23416789
2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane
CID 23418788
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene?
The IUPAC name of 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene (CID 23418141) is 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene.
What is the SMILES notation for 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene?
The canonical SMILES for 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene is COP12(OCCO1)OC(C)=C(c1ccccc1)O2.
What is the InChIKey of 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene?
The InChIKey is NYBKMESLRLVUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O5P/c1-10-12(11-6-4-3-5-7-11)17-18(13-2,16-10)14-8-9-15-18/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene?
5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene has a molecular weight of 270.22 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene is sourced from PubChem (CID 23418141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).