8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane

C41H54O7P2 — CID 160517252

IUPAC8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(C)OC(C)(CC(C)(O1)P3c1ccccc1)O2.COc1cccc(OC)c1-c1ccccc1P1C(C)(C)CC2(CC1(C)C)OCCO2
InChIInChI=1S/C25H33O4P.C16H21O3P/c1-23(2)16-25(28-14-15-29-25)17-24(3,4)30(23)21-13-8-7-10-18(21)22-19(26-5)11-9-12-20(22)27-6;1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h7-13H,14-17H2,1-6H3;5-9H,10-11H2,1-4H3
InChIKeyQTUUSXMIFUCIJE-UHFFFAOYSA-N
MW720.82 g/mol
LogP9.10
Rot. Bonds5

About 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane

8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane (PubChem CID 160517252) has the molecular formula C41H54O7P2 and a molecular weight of 720.82 g/mol. Its IUPAC name is 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
PubChem CID160517252
Molecular FormulaC41H54O7P2
Molecular Weight720.82 g/mol
Exact Mass720.33
IUPAC Name8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(C)OC(C)(CC(C)(O1)P3c1ccccc1)O2.COc1cccc(OC)c1-c1ccccc1P1C(C)(C)CC2(CC1(C)C)OCCO2
InChIInChI=1S/C25H33O4P.C16H21O3P/c1-23(2)16-25(28-14-15-29-25)17-24(3,4)30(23)21-13-8-7-10-18(21)22-19(26-5)11-9-12-20(22)27-6;1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h7-13H,14-17H2,1-6H3;5-9H,10-11H2,1-4H3
InChIKeyQTUUSXMIFUCIJE-UHFFFAOYSA-N
XLogP9.10
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.82
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

3-methoxy-N,N-dimethyl-2-[2-(7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decan-8-yl)phenyl]aniline
CID 66662579
ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one
CID 160828423
(1S,3S,5S,7S)-1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
CID 98228976
CID 164534113
CID 164534113
8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane
CID 175872413
8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
CID 138511520
(3S)-3-tert-butyl-4-(2,6-dimethoxyphenyl)-3-methyl-2H-1-benzofuran
CID 138643559
[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine
CID 106888051
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one
CID 129189827
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
(3S)-4-(2,6-dimethoxyphenyl)-3-propan-2-yl-2H-1,3-benzoxaphosphole
CID 70854585

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The IUPAC name of 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane (CID 160517252) is 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane is CC12CC3(C)OC(C)(CC(C)(O1)P3c1ccccc1)O2.COc1cccc(OC)c1-c1ccccc1P1C(C)(C)CC2(CC1(C)C)OCCO2.
What is the InChIKey of 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
The InChIKey is QTUUSXMIFUCIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33O4P.C16H21O3P/c1-23(2)16-25(28-14-15-29-25)17-24(3,4)30(23)21-13-8-7-10-18(21)22-19(26-5)11-9-12-20(22)27-6;1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h7-13H,14-17H2,1-6H3;5-9H,10-11H2,1-4H3.
What are the key properties of 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane?
8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane has a molecular weight of 720.82 g/mol, XLogP of 9.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 160517252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).