(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane

C26H34O6 — CID 10939149

IUPAC(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C26H34O6/c1-25(2)29-17-21(31-25)23(27-15-19-11-7-5-8-12-19)24(22-18-30-26(3,4)32-22)28-16-20-13-9-6-10-14-20/h5-14,21-24H,15-18H2,1-4H3/t21-,22-,23-,24-/m1/s1
InChIKeyLEAIDEHFLNKGBI-MOUTVQLLSA-N
MW442.55 g/mol
LogP4.46
Rot. Bonds9

About (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane

(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10939149) has the molecular formula C26H34O6 and a molecular weight of 442.55 g/mol. Its IUPAC name is (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10939149
Molecular FormulaC26H34O6
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C26H34O6/c1-25(2)29-17-21(31-25)23(27-15-19-11-7-5-8-12-19)24(22-18-30-26(3,4)32-22)28-16-20-13-9-6-10-14-20/h5-14,21-24H,15-18H2,1-4H3/t21-,22-,23-,24-/m1/s1
InChIKeyLEAIDEHFLNKGBI-MOUTVQLLSA-N
XLogP4.46
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane (CID 10939149) is (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is LEAIDEHFLNKGBI-MOUTVQLLSA-N. The full InChI is InChI=1S/C26H34O6/c1-25(2)29-17-21(31-25)23(27-15-19-11-7-5-8-12-19)24(22-18-30-26(3,4)32-22)28-16-20-13-9-6-10-14-20/h5-14,21-24H,15-18H2,1-4H3/t21-,22-,23-,24-/m1/s1.
What are the key properties of (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 442.55 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10939149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).