(2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one

C31H62O5Si2 — CID 11846915

IUPAC(2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one
SMILESCC(C)[Si](OCC[C@@H]1O[C@H](C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2C[C@H]2C)OC(=O)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C31H62O5Si2/c1-19(2)37(20(3)4,21(5)6)33-16-15-28-26(14)31(32)35-30(34-28)18-29(27-17-25(27)13)36-38(22(7)8,23(9)10)24(11)12/h19-30H,15-18H2,1-14H3/t25-,26+,27-,28+,29+,30+/m1/s1
InChIKeyKCEVIAGWDXHASR-DYXWLRBRSA-N
MW571.00 g/mol
LogP9.08
Rot. Bonds15

About (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one

(2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one (PubChem CID 11846915) has the molecular formula C31H62O5Si2 and a molecular weight of 571.00 g/mol. Its IUPAC name is (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one.

Molecular Properties

Compound Name(2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one
PubChem CID11846915
Molecular FormulaC31H62O5Si2
Molecular Weight571.00 g/mol
Exact Mass570.41
IUPAC Name(2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one
SMILESCC(C)[Si](OCC[C@@H]1O[C@H](C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2C[C@H]2C)OC(=O)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C31H62O5Si2/c1-19(2)37(20(3)4,21(5)6)33-16-15-28-26(14)31(32)35-30(34-28)18-29(27-17-25(27)13)36-38(22(7)8,23(9)10)24(11)12/h19-30H,15-18H2,1-14H3/t25-,26+,27-,28+,29+,30+/m1/s1
InChIKeyKCEVIAGWDXHASR-DYXWLRBRSA-N
XLogP9.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.00
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one?
The IUPAC name of (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one (CID 11846915) is (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one.
What is the SMILES notation for (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one?
The canonical SMILES for (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one is CC(C)[Si](OCC[C@@H]1O[C@H](C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2C[C@H]2C)OC(=O)[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one?
The InChIKey is KCEVIAGWDXHASR-DYXWLRBRSA-N. The full InChI is InChI=1S/C31H62O5Si2/c1-19(2)37(20(3)4,21(5)6)33-16-15-28-26(14)31(32)35-30(34-28)18-29(27-17-25(27)13)36-38(22(7)8,23(9)10)24(11)12/h19-30H,15-18H2,1-14H3/t25-,26+,27-,28+,29+,30+/m1/s1.
What are the key properties of (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one?
(2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one has a molecular weight of 571.00 g/mol, XLogP of 9.08, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6S)-5-methyl-2-[(2S)-2-[(1R,2R)-2-methylcyclopropyl]-2-tri(propan-2-yl)silyloxyethyl]-6-[2-tri(propan-2-yl)silyloxyethyl]-1,3-dioxan-4-one is sourced from PubChem (CID 11846915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).