dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate

C25H48O9Si — CID 70954318

IUPACdimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate
SMILESCOC(=O)[C@H](O)[C@](O)(C(=O)OC)[C@@H]1OC(C)(C)O[C@H]1[C@H](CC(C)CC(C)C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C25H48O9Si/c1-15(2)12-16(3)13-17(14-23(4,5)35(10,11)30)18-20(34-24(6,7)33-18)25(29,22(28)32-9)19(26)21(27)31-8/h15-20,26,29-30H,12-14H2,1-11H3/t16?,17-,18+,19+,20-,25-/m1/s1
InChIKeyVXZRNLLTWPSYGJ-QSJCXKCLSA-N
MW520.74 g/mol
LogP3.00
Rot. Bonds12

About dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate

dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate (PubChem CID 70954318) has the molecular formula C25H48O9Si and a molecular weight of 520.74 g/mol. Its IUPAC name is dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate
PubChem CID70954318
Molecular FormulaC25H48O9Si
Molecular Weight520.74 g/mol
Exact Mass520.31
IUPAC Namedimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate
SMILESCOC(=O)[C@H](O)[C@](O)(C(=O)OC)[C@@H]1OC(C)(C)O[C@H]1[C@H](CC(C)CC(C)C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C25H48O9Si/c1-15(2)12-16(3)13-17(14-23(4,5)35(10,11)30)18-20(34-24(6,7)33-18)25(29,22(28)32-9)19(26)21(27)31-8/h15-20,26,29-30H,12-14H2,1-11H3/t16?,17-,18+,19+,20-,25-/m1/s1
InChIKeyVXZRNLLTWPSYGJ-QSJCXKCLSA-N
XLogP3.00
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.74
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate?
The IUPAC name of dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate (CID 70954318) is dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate?
The canonical SMILES for dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate is COC(=O)[C@H](O)[C@](O)(C(=O)OC)[C@@H]1OC(C)(C)O[C@H]1[C@H](CC(C)CC(C)C)CC(C)(C)[Si](C)(C)O.
What is the InChIKey of dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate?
The InChIKey is VXZRNLLTWPSYGJ-QSJCXKCLSA-N. The full InChI is InChI=1S/C25H48O9Si/c1-15(2)12-16(3)13-17(14-23(4,5)35(10,11)30)18-20(34-24(6,7)33-18)25(29,22(28)32-9)19(26)21(27)31-8/h15-20,26,29-30H,12-14H2,1-11H3/t16?,17-,18+,19+,20-,25-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate?
dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate has a molecular weight of 520.74 g/mol, XLogP of 3.00, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate is sourced from PubChem (CID 70954318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).