(1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol

C24H42O6Si — CID 11532595

IUPAC(1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol
SMILESC=C[C@]1(C)O[C@]2(C)C[C@@H]3O[C@@H]4CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]4C[C@H]3O[C@H]2C[C@H]1O
InChIInChI=1S/C24H42O6Si/c1-10-23(8)19(25)12-20-24(9,30-23)13-17-15(28-20)11-16-18(27-17)14-26-31(29-16,21(2,3)4)22(5,6)7/h10,15-20,25H,1,11-14H2,2-9H3/t15-,16+,17+,18-,19-,20+,23+,24-/m1/s1
InChIKeyNOZVDQOKYPGDBE-NSJANFJXSA-N
MW454.68 g/mol
LogP4.24
Rot. Bonds1

About (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol

(1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol (PubChem CID 11532595) has the molecular formula C24H42O6Si and a molecular weight of 454.68 g/mol. Its IUPAC name is (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol.

Molecular Properties

Compound Name(1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol
PubChem CID11532595
Molecular FormulaC24H42O6Si
Molecular Weight454.68 g/mol
Exact Mass454.28
IUPAC Name(1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol
SMILESC=C[C@]1(C)O[C@]2(C)C[C@@H]3O[C@@H]4CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]4C[C@H]3O[C@H]2C[C@H]1O
InChIInChI=1S/C24H42O6Si/c1-10-23(8)19(25)12-20-24(9,30-23)13-17-15(28-20)11-16-18(27-17)14-26-31(29-16,21(2,3)4)22(5,6)7/h10,15-20,25H,1,11-14H2,2-9H3/t15-,16+,17+,18-,19-,20+,23+,24-/m1/s1
InChIKeyNOZVDQOKYPGDBE-NSJANFJXSA-N
XLogP4.24
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol?
The IUPAC name of (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol (CID 11532595) is (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol.
What is the SMILES notation for (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol?
The canonical SMILES for (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol is C=C[C@]1(C)O[C@]2(C)C[C@@H]3O[C@@H]4CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]4C[C@H]3O[C@H]2C[C@H]1O.
What is the InChIKey of (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol?
The InChIKey is NOZVDQOKYPGDBE-NSJANFJXSA-N. The full InChI is InChI=1S/C24H42O6Si/c1-10-23(8)19(25)12-20-24(9,30-23)13-17-15(28-20)11-16-18(27-17)14-26-31(29-16,21(2,3)4)22(5,6)7/h10,15-20,25H,1,11-14H2,2-9H3/t15-,16+,17+,18-,19-,20+,23+,24-/m1/s1.
What are the key properties of (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol?
(1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol has a molecular weight of 454.68 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,8S,10R,12S,14R,15S,17R)-6,6-ditert-butyl-15-ethenyl-15,17-dimethyl-2,5,7,11,16-pentaoxa-6-silatetracyclo[8.8.0.03,8.012,17]octadecan-14-ol is sourced from PubChem (CID 11532595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).