(1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol

C16H26O2Si — CID 101413551

IUPAC(1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol
SMILESCC1=C[C@@]23CO[C@@](C)(C1)[C@@H]2/C(=C\[Si](C)(C)C)C[C@H]3O
InChIInChI=1S/C16H26O2Si/c1-11-7-15(2)14-12(9-19(3,4)5)6-13(17)16(14,8-11)10-18-15/h8-9,13-14,17H,6-7,10H2,1-5H3/b12-9-/t13-,14+,15+,16+/m1/s1
InChIKeyKVMFRYKWSHRBJI-YTZQUOCLSA-N
MW278.47 g/mol
LogP3.30
Rot. Bonds1

About (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol

(1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol (PubChem CID 101413551) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol
PubChem CID101413551
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol
SMILESCC1=C[C@@]23CO[C@@](C)(C1)[C@@H]2/C(=C\[Si](C)(C)C)C[C@H]3O
InChIInChI=1S/C16H26O2Si/c1-11-7-15(2)14-12(9-19(3,4)5)6-13(17)16(14,8-11)10-18-15/h8-9,13-14,17H,6-7,10H2,1-5H3/b12-9-/t13-,14+,15+,16+/m1/s1
InChIKeyKVMFRYKWSHRBJI-YTZQUOCLSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol?
The IUPAC name of (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol (CID 101413551) is (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol.
What is the SMILES notation for (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol?
The canonical SMILES for (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol is CC1=C[C@@]23CO[C@@](C)(C1)[C@@H]2/C(=C\[Si](C)(C)C)C[C@H]3O.
What is the InChIKey of (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol?
The InChIKey is KVMFRYKWSHRBJI-YTZQUOCLSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-11-7-15(2)14-12(9-19(3,4)5)6-13(17)16(14,8-11)10-18-15/h8-9,13-14,17H,6-7,10H2,1-5H3/b12-9-/t13-,14+,15+,16+/m1/s1.
What are the key properties of (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol?
(1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol has a molecular weight of 278.47 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4Z,5S,6S)-6,8-dimethyl-4-(trimethylsilylmethylidene)-11-oxatricyclo[4.3.2.01,5]undec-8-en-2-ol is sourced from PubChem (CID 101413551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).