(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol

C18H38O4Si — CID 59071254

IUPAC(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol
SMILESCC[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si/c1-11-18(8,19)13(2)15-14(21-17(6,7)22-15)12-20-23(9,10)16(3,4)5/h13-15,19H,11-12H2,1-10H3/t13-,14+,15-,18+/m1/s1
InChIKeyCIWMYYZZRHRMRB-FSZRXZPDSA-N
MW346.58 g/mol
LogP4.33
Rot. Bonds6

About (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol

(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol (PubChem CID 59071254) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol
PubChem CID59071254
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol
SMILESCC[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si/c1-11-18(8,19)13(2)15-14(21-17(6,7)22-15)12-20-23(9,10)16(3,4)5/h13-15,19H,11-12H2,1-10H3/t13-,14+,15-,18+/m1/s1
InChIKeyCIWMYYZZRHRMRB-FSZRXZPDSA-N
XLogP4.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol?
The IUPAC name of (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol (CID 59071254) is (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol.
What is the SMILES notation for (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol?
The canonical SMILES for (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol is CC[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol?
The InChIKey is CIWMYYZZRHRMRB-FSZRXZPDSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-11-18(8,19)13(2)15-14(21-17(6,7)22-15)12-20-23(9,10)16(3,4)5/h13-15,19H,11-12H2,1-10H3/t13-,14+,15-,18+/m1/s1.
What are the key properties of (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol?
(2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol has a molecular weight of 346.58 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-3-ol is sourced from PubChem (CID 59071254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).