(1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol

C34H68O8Si2 — CID 15361995

IUPAC(1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol
SMILESCCCCCC[Si](C)(C)OC1CC[C@H](O)[C@@](O)(C2=CCC[C@H](O[Si](C)(C)CCCCCC)[C@@H]2OCOCC)[C@H]1OCOCC
InChIInChI=1S/C34H68O8Si2/c1-9-13-15-17-24-43(5,6)41-29-21-19-20-28(32(29)39-26-37-11-3)34(36)31(35)23-22-30(33(34)40-27-38-12-4)42-44(7,8)25-18-16-14-10-2/h20,29-33,35-36H,9-19,21-27H2,1-8H3/t29-,30?,31-,32+,33-,34-/m0/s1
InChIKeyCRUGERMTWSBGMM-RQAUOZJPSA-N
MW661.08 g/mol
LogP7.69
Rot. Bonds23

About (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol

(1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol (PubChem CID 15361995) has the molecular formula C34H68O8Si2 and a molecular weight of 661.08 g/mol. Its IUPAC name is (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol
PubChem CID15361995
Molecular FormulaC34H68O8Si2
Molecular Weight661.08 g/mol
Exact Mass660.45
IUPAC Name(1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol
SMILESCCCCCC[Si](C)(C)OC1CC[C@H](O)[C@@](O)(C2=CCC[C@H](O[Si](C)(C)CCCCCC)[C@@H]2OCOCC)[C@H]1OCOCC
InChIInChI=1S/C34H68O8Si2/c1-9-13-15-17-24-43(5,6)41-29-21-19-20-28(32(29)39-26-37-11-3)34(36)31(35)23-22-30(33(34)40-27-38-12-4)42-44(7,8)25-18-16-14-10-2/h20,29-33,35-36H,9-19,21-27H2,1-8H3/t29-,30?,31-,32+,33-,34-/m0/s1
InChIKeyCRUGERMTWSBGMM-RQAUOZJPSA-N
XLogP7.69
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.08
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol?
The IUPAC name of (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol (CID 15361995) is (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol.
What is the SMILES notation for (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol?
The canonical SMILES for (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol is CCCCCC[Si](C)(C)OC1CC[C@H](O)[C@@](O)(C2=CCC[C@H](O[Si](C)(C)CCCCCC)[C@@H]2OCOCC)[C@H]1OCOCC.
What is the InChIKey of (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol?
The InChIKey is CRUGERMTWSBGMM-RQAUOZJPSA-N. The full InChI is InChI=1S/C34H68O8Si2/c1-9-13-15-17-24-43(5,6)41-29-21-19-20-28(32(29)39-26-37-11-3)34(36)31(35)23-22-30(33(34)40-27-38-12-4)42-44(7,8)25-18-16-14-10-2/h20,29-33,35-36H,9-19,21-27H2,1-8H3/t29-,30?,31-,32+,33-,34-/m0/s1.
What are the key properties of (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol?
(1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol has a molecular weight of 661.08 g/mol, XLogP of 7.69, 23 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6S)-6-(ethoxymethoxy)-1-[(5S,6R)-6-(ethoxymethoxy)-5-[hexyl(dimethyl)silyl]oxycyclohexen-1-yl]-5-[hexyl(dimethyl)silyl]oxycyclohexane-1,2-diol is sourced from PubChem (CID 15361995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).