(1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol

C16H26O3Si — CID 101413557

IUPAC(1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol
SMILESCC1=C[C@]23CO[C@]4(C1)OC[C@H]([Si](C)(C)C)[C@H](C[C@H]2O)[C@@H]43
InChIInChI=1S/C16H26O3Si/c1-10-6-15-9-19-16(7-10)14(15)11(5-13(15)17)12(8-18-16)20(2,3)4/h6,11-14,17H,5,7-9H2,1-4H3/t11-,12-,13+,14+,15-,16-/m0/s1
InChIKeySCWHSIJAIGNXMX-DERJNBNXSA-N
MW294.47 g/mol
LogP2.78
Rot. Bonds1

About (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol

(1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol (PubChem CID 101413557) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol
PubChem CID101413557
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol
SMILESCC1=C[C@]23CO[C@]4(C1)OC[C@H]([Si](C)(C)C)[C@H](C[C@H]2O)[C@@H]43
InChIInChI=1S/C16H26O3Si/c1-10-6-15-9-19-16(7-10)14(15)11(5-13(15)17)12(8-18-16)20(2,3)4/h6,11-14,17H,5,7-9H2,1-4H3/t11-,12-,13+,14+,15-,16-/m0/s1
InChIKeySCWHSIJAIGNXMX-DERJNBNXSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol?
The IUPAC name of (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol (CID 101413557) is (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol.
What is the SMILES notation for (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol?
The canonical SMILES for (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol is CC1=C[C@]23CO[C@]4(C1)OC[C@H]([Si](C)(C)C)[C@H](C[C@H]2O)[C@@H]43.
What is the InChIKey of (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol?
The InChIKey is SCWHSIJAIGNXMX-DERJNBNXSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-10-6-15-9-19-16(7-10)14(15)11(5-13(15)17)12(8-18-16)20(2,3)4/h6,11-14,17H,5,7-9H2,1-4H3/t11-,12-,13+,14+,15-,16-/m0/s1.
What are the key properties of (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol?
(1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol has a molecular weight of 294.47 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5R,8R,14R)-10-methyl-5-trimethylsilyl-7,13-dioxatetracyclo[6.3.2.11,4.08,14]tetradec-10-en-2-ol is sourced from PubChem (CID 101413557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).