(1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol

C21H30Cl2O6 — CID 10718333

IUPAC(1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
SMILESCC[C@](O)([C@H](OCc1c(Cl)cccc1Cl)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C21H30Cl2O6/c1-6-21(24,17-12-27-20(4,5)29-17)18(16-11-26-19(2,3)28-16)25-10-13-14(22)8-7-9-15(13)23/h7-9,16-18,24H,6,10-12H2,1-5H3/t16-,17-,18-,21-/m1/s1
InChIKeyHLSRWDSXEQGMJI-NEYJZJCJSA-N
MW449.37 g/mol
LogP4.32
Rot. Bonds7

About (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol

(1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol (PubChem CID 10718333) has the molecular formula C21H30Cl2O6 and a molecular weight of 449.37 g/mol. Its IUPAC name is (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
PubChem CID10718333
Molecular FormulaC21H30Cl2O6
Molecular Weight449.37 g/mol
Exact Mass448.14
IUPAC Name(1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
SMILESCC[C@](O)([C@H](OCc1c(Cl)cccc1Cl)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C21H30Cl2O6/c1-6-21(24,17-12-27-20(4,5)29-17)18(16-11-26-19(2,3)28-16)25-10-13-14(22)8-7-9-15(13)23/h7-9,16-18,24H,6,10-12H2,1-5H3/t16-,17-,18-,21-/m1/s1
InChIKeyHLSRWDSXEQGMJI-NEYJZJCJSA-N
XLogP4.32
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol?
The IUPAC name of (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol (CID 10718333) is (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol.
What is the SMILES notation for (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol?
The canonical SMILES for (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol is CC[C@](O)([C@H](OCc1c(Cl)cccc1Cl)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol?
The InChIKey is HLSRWDSXEQGMJI-NEYJZJCJSA-N. The full InChI is InChI=1S/C21H30Cl2O6/c1-6-21(24,17-12-27-20(4,5)29-17)18(16-11-26-19(2,3)28-16)25-10-13-14(22)8-7-9-15(13)23/h7-9,16-18,24H,6,10-12H2,1-5H3/t16-,17-,18-,21-/m1/s1.
What are the key properties of (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol?
(1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol has a molecular weight of 449.37 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol is sourced from PubChem (CID 10718333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).