(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane

C41H58O4P2 — CID 145039307

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane
SMILESC/C=C(C)\C(=C\C)P(C)c1c(C)cc(C)cc1C.COc1cc(C)c(P(CC2COC(C)(C)O2)c2c(C)cc(OC)cc2C)c(C)c1
InChIInChI=1S/C24H33O4P.C17H25P/c1-15-9-19(25-7)10-16(2)22(15)29(14-21-13-27-24(5,6)28-21)23-17(3)11-20(26-8)12-18(23)4;1-8-13(4)16(9-2)18(7)17-14(5)10-12(3)11-15(17)6/h9-12,21H,13-14H2,1-8H3;8-11H,1-7H3/b;13-8-,16-9-
InChIKeyTVKZCSGFPLTRHK-NFIHPTCRSA-N
MW676.86 g/mol
LogP9.74
Rot. Bonds9

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane (PubChem CID 145039307) has the molecular formula C41H58O4P2 and a molecular weight of 676.86 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane
PubChem CID145039307
Molecular FormulaC41H58O4P2
Molecular Weight676.86 g/mol
Exact Mass676.38
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane
SMILESC/C=C(C)\C(=C\C)P(C)c1c(C)cc(C)cc1C.COc1cc(C)c(P(CC2COC(C)(C)O2)c2c(C)cc(OC)cc2C)c(C)c1
InChIInChI=1S/C24H33O4P.C17H25P/c1-15-9-19(25-7)10-16(2)22(15)29(14-21-13-27-24(5,6)28-21)23-17(3)11-20(26-8)12-18(23)4;1-8-13(4)16(9-2)18(7)17-14(5)10-12(3)11-15(17)6/h9-12,21H,13-14H2,1-8H3;8-11H,1-7H3/b;13-8-,16-9-
InChIKeyTVKZCSGFPLTRHK-NFIHPTCRSA-N
XLogP9.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane (CID 145039307) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane is C/C=C(C)\C(=C\C)P(C)c1c(C)cc(C)cc1C.COc1cc(C)c(P(CC2COC(C)(C)O2)c2c(C)cc(OC)cc2C)c(C)c1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is TVKZCSGFPLTRHK-NFIHPTCRSA-N. The full InChI is InChI=1S/C24H33O4P.C17H25P/c1-15-9-19(25-7)10-16(2)22(15)29(14-21-13-27-24(5,6)28-21)23-17(3)11-20(26-8)12-18(23)4;1-8-13(4)16(9-2)18(7)17-14(5)10-12(3)11-15(17)6/h9-12,21H,13-14H2,1-8H3;8-11H,1-7H3/b;13-8-,16-9-.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 676.86 g/mol, XLogP of 9.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane;methyl-[(2Z,4Z)-4-methylhexa-2,4-dien-3-yl]-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 145039307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).