(1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol

C17H28O2Si — CID 101334118

IUPAC(1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol
SMILESCC[Si](CC)(CC)C1=C2CO[C@@]3(O)CCC[C@@H](C=C1)[C@@H]23
InChIInChI=1S/C17H28O2Si/c1-4-20(5-2,6-3)15-10-9-13-8-7-11-17(18)16(13)14(15)12-19-17/h9-10,13,16,18H,4-8,11-12H2,1-3H3/t13-,16-,17-/m0/s1
InChIKeyDUNSCKRNCBAXBB-JQFCIGGWSA-N
MW292.50 g/mol
LogP4.04
Rot. Bonds4

About (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol

(1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol (PubChem CID 101334118) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol.

Molecular Properties

Compound Name(1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol
PubChem CID101334118
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol
SMILESCC[Si](CC)(CC)C1=C2CO[C@@]3(O)CCC[C@@H](C=C1)[C@@H]23
InChIInChI=1S/C17H28O2Si/c1-4-20(5-2,6-3)15-10-9-13-8-7-11-17(18)16(13)14(15)12-19-17/h9-10,13,16,18H,4-8,11-12H2,1-3H3/t13-,16-,17-/m0/s1
InChIKeyDUNSCKRNCBAXBB-JQFCIGGWSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol?
The IUPAC name of (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol (CID 101334118) is (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol.
What is the SMILES notation for (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol?
The canonical SMILES for (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol is CC[Si](CC)(CC)C1=C2CO[C@@]3(O)CCC[C@@H](C=C1)[C@@H]23.
What is the InChIKey of (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol?
The InChIKey is DUNSCKRNCBAXBB-JQFCIGGWSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-4-20(5-2,6-3)15-10-9-13-8-7-11-17(18)16(13)14(15)12-19-17/h9-10,13,16,18H,4-8,11-12H2,1-3H3/t13-,16-,17-/m0/s1.
What are the key properties of (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol?
(1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol has a molecular weight of 292.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,12S)-5-triethylsilyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,6-dien-1-ol is sourced from PubChem (CID 101334118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).