(1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol

C26H41NO6Si — CID 10929086

IUPAC(1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol
SMILESCC(C)[Si]1(C(C)C)O[C@H]2C[C@H](O[C@H]3CCCC[C@@H]3c3ccccc3)ON3O[C@H]([C@H](O)CO)[C@@H]1[C@@H]23
InChIInChI=1S/C26H41NO6Si/c1-16(2)34(17(3)4)26-24-22(33-34)14-23(31-27(24)32-25(26)20(29)15-28)30-21-13-9-8-12-19(21)18-10-6-5-7-11-18/h5-7,10-11,16-17,19-26,28-29H,8-9,12-15H2,1-4H3/t19-,20-,21+,22+,23-,24-,25-,26+/m1/s1
InChIKeyGZNKHFICKGHMGH-FJKSZPNDSA-N
MW491.70 g/mol
LogP4.26
Rot. Bonds7

About (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol

(1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol (PubChem CID 10929086) has the molecular formula C26H41NO6Si and a molecular weight of 491.70 g/mol. Its IUPAC name is (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol
PubChem CID10929086
Molecular FormulaC26H41NO6Si
Molecular Weight491.70 g/mol
Exact Mass491.27
IUPAC Name(1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol
SMILESCC(C)[Si]1(C(C)C)O[C@H]2C[C@H](O[C@H]3CCCC[C@@H]3c3ccccc3)ON3O[C@H]([C@H](O)CO)[C@@H]1[C@@H]23
InChIInChI=1S/C26H41NO6Si/c1-16(2)34(17(3)4)26-24-22(33-34)14-23(31-27(24)32-25(26)20(29)15-28)30-21-13-9-8-12-19(21)18-10-6-5-7-11-18/h5-7,10-11,16-17,19-26,28-29H,8-9,12-15H2,1-4H3/t19-,20-,21+,22+,23-,24-,25-,26+/m1/s1
InChIKeyGZNKHFICKGHMGH-FJKSZPNDSA-N
XLogP4.26
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.70
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol with MolForge

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Related Compounds

(3R,4S,7S,9R,11R)-3-ethenyl-9-[(2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecane
CID 134845849
propan-2-yl (3R,4R,7R,9S,11S)-5-hydroxy-9-[(1S,2R)-2-phenylcyclohexyl]oxy-2,6,10-trioxa-1-azatricyclo[5.3.1.04,11]undecane-3-carboxylate
CID 11037444
1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
propan-2-yl (3R,4R,7S,8S,9S,11R)-8-[dimethyl(phenyl)silyl]-5-hydroxy-9-[(1R,2S)-2-phenylcyclohexyl]oxy-2,6,10-trioxa-1-azatricyclo[5.3.1.04,11]undecane-3-carboxylate
CID 11071850
[(1R,2R)-2-phenylcyclohexyl] [(1S,2R)-2-phenylcyclohexyl] [(1S,2S)-2-phenylcyclohexyl] borate
CID 125124690
(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine
CID 15399965
[(1S,2R,7R,8R,9R)-2-[(1R,2S)-2-phenylcyclohexyl]oxy-3,5-dioxa-4-azatricyclo[5.2.1.04,8]decan-9-yl] benzoate
CID 10717742
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
CID 102209606
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol (CID 10929086) is (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol is CC(C)[Si]1(C(C)C)O[C@H]2C[C@H](O[C@H]3CCCC[C@@H]3c3ccccc3)ON3O[C@H]([C@H](O)CO)[C@@H]1[C@@H]23.
What is the InChIKey of (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol?
The InChIKey is GZNKHFICKGHMGH-FJKSZPNDSA-N. The full InChI is InChI=1S/C26H41NO6Si/c1-16(2)34(17(3)4)26-24-22(33-34)14-23(31-27(24)32-25(26)20(29)15-28)30-21-13-9-8-12-19(21)18-10-6-5-7-11-18/h5-7,10-11,16-17,19-26,28-29H,8-9,12-15H2,1-4H3/t19-,20-,21+,22+,23-,24-,25-,26+/m1/s1.
What are the key properties of (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol?
(1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol has a molecular weight of 491.70 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R,4S,7S,9R,11R)-9-[(1S,2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecan-3-yl]ethane-1,2-diol is sourced from PubChem (CID 10929086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).