(4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid

C30H60O8Si2 — CID 173251093

IUPAC(4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid
SMILESCO[C@@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]([C@H](C[C@@](C)(O[SiH](C)C)C(=O)C(=O)C(=O)O)OC)C(C)(C)C
InChIInChI=1S/C30H60O8Si2/c1-19(2)40(20(3)4,21(5)6)37-18-22(7)16-23(35-12)25(29(8,9)10)24(36-13)17-30(11,38-39(14)15)27(32)26(31)28(33)34/h19-25,39H,16-18H2,1-15H3,(H,33,34)/t22-,23+,24+,25-,30-/m1/s1
InChIKeyLIDODZBIJDMQKP-PCAJUUEESA-N
MW604.97 g/mol
LogP6.27
Rot. Bonds19

About (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid

(4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid (PubChem CID 173251093) has the molecular formula C30H60O8Si2 and a molecular weight of 604.97 g/mol. Its IUPAC name is (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid.

Molecular Properties

Compound Name(4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid
PubChem CID173251093
Molecular FormulaC30H60O8Si2
Molecular Weight604.97 g/mol
Exact Mass604.38
IUPAC Name(4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid
SMILESCO[C@@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]([C@H](C[C@@](C)(O[SiH](C)C)C(=O)C(=O)C(=O)O)OC)C(C)(C)C
InChIInChI=1S/C30H60O8Si2/c1-19(2)40(20(3)4,21(5)6)37-18-22(7)16-23(35-12)25(29(8,9)10)24(36-13)17-30(11,38-39(14)15)27(32)26(31)28(33)34/h19-25,39H,16-18H2,1-15H3,(H,33,34)/t22-,23+,24+,25-,30-/m1/s1
InChIKeyLIDODZBIJDMQKP-PCAJUUEESA-N
XLogP6.27
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.97
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid?
The IUPAC name of (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid (CID 173251093) is (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid.
What is the SMILES notation for (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid?
The canonical SMILES for (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid is CO[C@@H](C[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]([C@H](C[C@@](C)(O[SiH](C)C)C(=O)C(=O)C(=O)O)OC)C(C)(C)C.
What is the InChIKey of (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid?
The InChIKey is LIDODZBIJDMQKP-PCAJUUEESA-N. The full InChI is InChI=1S/C30H60O8Si2/c1-19(2)40(20(3)4,21(5)6)37-18-22(7)16-23(35-12)25(29(8,9)10)24(36-13)17-30(11,38-39(14)15)27(32)26(31)28(33)34/h19-25,39H,16-18H2,1-15H3,(H,33,34)/t22-,23+,24+,25-,30-/m1/s1.
What are the key properties of (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid?
(4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid has a molecular weight of 604.97 g/mol, XLogP of 6.27, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S,7R,8S,10R)-7-tert-butyl-4-dimethylsilyloxy-6,8-dimethoxy-4,10-dimethyl-2,3-dioxo-11-tri(propan-2-yl)silyloxyundecanoic acid is sourced from PubChem (CID 173251093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).