(1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol

C26H46O5Si — CID 15343855

IUPAC(1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol
SMILESCOCOC(C)(C)C1=C2C[C@@H](O)[C@H](C)[C@@H]3CC[C@@](COC)(O[Si](C)(C)C)/C3=C/[C@@]2(C)CC1
InChIInChI=1S/C26H46O5Si/c1-18-19-10-13-26(16-28-5,31-32(7,8)9)22(19)15-25(4)12-11-20(21(25)14-23(18)27)24(2,3)30-17-29-6/h15,18-19,23,27H,10-14,16-17H2,1-9H3/b22-15+/t18-,19+,23-,25-,26+/m1/s1
InChIKeyDXAPMIRGBOTAAR-LJZOJCTPSA-N
MW466.74 g/mol
LogP5.46
Rot. Bonds8

About (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol

(1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol (PubChem CID 15343855) has the molecular formula C26H46O5Si and a molecular weight of 466.74 g/mol. Its IUPAC name is (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol.

Molecular Properties

Compound Name(1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol
PubChem CID15343855
Molecular FormulaC26H46O5Si
Molecular Weight466.74 g/mol
Exact Mass466.31
IUPAC Name(1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol
SMILESCOCOC(C)(C)C1=C2C[C@@H](O)[C@H](C)[C@@H]3CC[C@@](COC)(O[Si](C)(C)C)/C3=C/[C@@]2(C)CC1
InChIInChI=1S/C26H46O5Si/c1-18-19-10-13-26(16-28-5,31-32(7,8)9)22(19)15-25(4)12-11-20(21(25)14-23(18)27)24(2,3)30-17-29-6/h15,18-19,23,27H,10-14,16-17H2,1-9H3/b22-15+/t18-,19+,23-,25-,26+/m1/s1
InChIKeyDXAPMIRGBOTAAR-LJZOJCTPSA-N
XLogP5.46
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol?
The IUPAC name of (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol (CID 15343855) is (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol.
What is the SMILES notation for (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol?
The canonical SMILES for (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol is COCOC(C)(C)C1=C2C[C@@H](O)[C@H](C)[C@@H]3CC[C@@](COC)(O[Si](C)(C)C)/C3=C/[C@@]2(C)CC1.
What is the InChIKey of (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol?
The InChIKey is DXAPMIRGBOTAAR-LJZOJCTPSA-N. The full InChI is InChI=1S/C26H46O5Si/c1-18-19-10-13-26(16-28-5,31-32(7,8)9)22(19)15-25(4)12-11-20(21(25)14-23(18)27)24(2,3)30-17-29-6/h15,18-19,23,27H,10-14,16-17H2,1-9H3/b22-15+/t18-,19+,23-,25-,26+/m1/s1.
What are the key properties of (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol?
(1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol has a molecular weight of 466.74 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R,9R,10R,11S,14R)-6-[2-(methoxymethoxy)propan-2-yl]-14-(methoxymethyl)-3,10-dimethyl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol is sourced from PubChem (CID 15343855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).