(5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol

C20H40O5Si — CID 70842966

IUPAC(5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol
SMILESC[C@@H]1C[C@@H](OC2CCCCO2)[C@H](CCC(C)(C)[Si](C)(C)O)CCC(O)O1
InChIInChI=1S/C20H40O5Si/c1-15-14-17(25-19-8-6-7-13-23-19)16(9-10-18(21)24-15)11-12-20(2,3)26(4,5)22/h15-19,21-22H,6-14H2,1-5H3/t15-,16+,17-,18?,19?/m1/s1
InChIKeyFMOMQFMFPXGCAQ-FCWGVCEXSA-N
MW388.62 g/mol
LogP4.18
Rot. Bonds6

About (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol

(5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol (PubChem CID 70842966) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol.

Molecular Properties

Compound Name(5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol
PubChem CID70842966
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Name(5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol
SMILESC[C@@H]1C[C@@H](OC2CCCCO2)[C@H](CCC(C)(C)[Si](C)(C)O)CCC(O)O1
InChIInChI=1S/C20H40O5Si/c1-15-14-17(25-19-8-6-7-13-23-19)16(9-10-18(21)24-15)11-12-20(2,3)26(4,5)22/h15-19,21-22H,6-14H2,1-5H3/t15-,16+,17-,18?,19?/m1/s1
InChIKeyFMOMQFMFPXGCAQ-FCWGVCEXSA-N
XLogP4.18
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol?
The IUPAC name of (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol (CID 70842966) is (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol.
What is the SMILES notation for (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol?
The canonical SMILES for (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol is C[C@@H]1C[C@@H](OC2CCCCO2)[C@H](CCC(C)(C)[Si](C)(C)O)CCC(O)O1.
What is the InChIKey of (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol?
The InChIKey is FMOMQFMFPXGCAQ-FCWGVCEXSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-15-14-17(25-19-8-6-7-13-23-19)16(9-10-18(21)24-15)11-12-20(2,3)26(4,5)22/h15-19,21-22H,6-14H2,1-5H3/t15-,16+,17-,18?,19?/m1/s1.
What are the key properties of (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol?
(5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol has a molecular weight of 388.62 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,8R)-5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-8-methyl-6-(oxan-2-yloxy)oxocan-2-ol is sourced from PubChem (CID 70842966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).