(1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol

C20H34O4Si — CID 101154492

IUPAC(1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol
SMILESCC1(C)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(O)CCC=C3/C=C\[C@H]2O1
InChIInChI=1S/C20H34O4Si/c1-18(2,3)25(6,7)24-16-13-20(21)12-8-9-14(20)10-11-15-17(16)23-19(4,5)22-15/h9-11,15-17,21H,8,12-13H2,1-7H3/b11-10-/t15-,16+,17-,20-/m1/s1
InChIKeyXTJJRIBEMFZCSU-HUJJFYJPSA-N
MW366.57 g/mol
LogP4.31
Rot. Bonds2

About (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol

(1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol (PubChem CID 101154492) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol.

Molecular Properties

Compound Name(1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol
PubChem CID101154492
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name(1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol
SMILESCC1(C)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(O)CCC=C3/C=C\[C@H]2O1
InChIInChI=1S/C20H34O4Si/c1-18(2,3)25(6,7)24-16-13-20(21)12-8-9-14(20)10-11-15-17(16)23-19(4,5)22-15/h9-11,15-17,21H,8,12-13H2,1-7H3/b11-10-/t15-,16+,17-,20-/m1/s1
InChIKeyXTJJRIBEMFZCSU-HUJJFYJPSA-N
XLogP4.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol?
The IUPAC name of (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol (CID 101154492) is (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol.
What is the SMILES notation for (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol?
The canonical SMILES for (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol is CC1(C)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]3(O)CCC=C3/C=C\[C@H]2O1.
What is the InChIKey of (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol?
The InChIKey is XTJJRIBEMFZCSU-HUJJFYJPSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-18(2,3)25(6,7)24-16-13-20(21)12-8-9-14(20)10-11-15-17(16)23-19(4,5)22-15/h9-11,15-17,21H,8,12-13H2,1-7H3/b11-10-/t15-,16+,17-,20-/m1/s1.
What are the key properties of (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol?
(1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol has a molecular weight of 366.57 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,8R,9Z)-3-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-1-ol is sourced from PubChem (CID 101154492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).