(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane

C24H33O4P — CID 145039301

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane
SMILESCOc1cc(C)c(P(CC2COC(C)(C)O2)c2c(C)cc(OC)cc2C)c(C)c1
InChIInChI=1S/C24H33O4P/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/h9-12,21H,13-14H2,1-8H3
InChIKeyOPHDFJFUZYAVNO-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.52
Rot. Bonds6

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane (PubChem CID 145039301) has the molecular formula C24H33O4P and a molecular weight of 416.50 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane
PubChem CID145039301
Molecular FormulaC24H33O4P
Molecular Weight416.50 g/mol
Exact Mass416.21
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane
SMILESCOc1cc(C)c(P(CC2COC(C)(C)O2)c2c(C)cc(OC)cc2C)c(C)c1
InChIInChI=1S/C24H33O4P/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/h9-12,21H,13-14H2,1-8H3
InChIKeyOPHDFJFUZYAVNO-UHFFFAOYSA-N
XLogP4.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.52
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

(2,2-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
bis(4-chlorophenyl)-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phosphane
CID 145039317
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methoxyaniline
CID 59352968
4-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 121483527
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
CID 70932710
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
5-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,6-dimethylphenyl]-8-methoxybicyclo[4.2.0]octa-1,3,5,7-tetraen-7-ol
CID 70837608
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950

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?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane (CID 145039301) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane is 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?
The InChIKey is OPHDFJFUZYAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O4P/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/h9-12,21H,13-14H2,1-8H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane has a molecular weight of 416.50 g/mol, XLogP of 4.52, 6 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 is sourced from PubChem (CID 145039301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).