(1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol

C30H36O6 — CID 15307474

IUPAC(1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
SMILESCC1(C)O[C@H]([C@H](O)COCc2ccccc2)[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)O1
InChIInChI=1S/C30H36O6/c1-30(2)35-28(26(31)21-32-18-23-12-6-3-7-13-23)29(36-30)27(34-20-25-16-10-5-11-17-25)22-33-19-24-14-8-4-9-15-24/h3-17,26-29,31H,18-22H2,1-2H3/t26-,27-,28-,29-/m1/s1
InChIKeyZLBMIHDIXKDUGW-CXDXLJMYSA-N
MW492.61 g/mol
LogP4.89
Rot. Bonds13

About (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol

(1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol (PubChem CID 15307474) has the molecular formula C30H36O6 and a molecular weight of 492.61 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
PubChem CID15307474
Molecular FormulaC30H36O6
Molecular Weight492.61 g/mol
Exact Mass492.25
IUPAC Name(1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
SMILESCC1(C)O[C@H]([C@H](O)COCc2ccccc2)[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)O1
InChIInChI=1S/C30H36O6/c1-30(2)35-28(26(31)21-32-18-23-12-6-3-7-13-23)29(36-30)27(34-20-25-16-10-5-11-17-25)22-33-19-24-14-8-4-9-15-24/h3-17,26-29,31H,18-22H2,1-2H3/t26-,27-,28-,29-/m1/s1
InChIKeyZLBMIHDIXKDUGW-CXDXLJMYSA-N
XLogP4.89
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol?
The IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol (CID 15307474) is (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol is CC1(C)O[C@H]([C@H](O)COCc2ccccc2)[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)O1.
What is the InChIKey of (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol?
The InChIKey is ZLBMIHDIXKDUGW-CXDXLJMYSA-N. The full InChI is InChI=1S/C30H36O6/c1-30(2)35-28(26(31)21-32-18-23-12-6-3-7-13-23)29(36-30)27(34-20-25-16-10-5-11-17-25)22-33-19-24-14-8-4-9-15-24/h3-17,26-29,31H,18-22H2,1-2H3/t26-,27-,28-,29-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol?
(1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol has a molecular weight of 492.61 g/mol, XLogP of 4.89, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol is sourced from PubChem (CID 15307474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).