trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane

C12H18OSi — CID 42643791

IUPACtrimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane
SMILESC[Si](C)(C)C1=C[C@@H]2C[C@H]1C=CC1OC12
InChIInChI=1S/C12H18OSi/c1-14(2,3)11-7-9-6-8(11)4-5-10-12(9)13-10/h4-5,7-10,12H,6H2,1-3H3/t8-,9+,10?,12?/m1/s1
InChIKeyJBCXCOPPFVZOCI-GHHKWEBWSA-N
MW206.36 g/mol
LogP2.76
Rot. Bonds1

About trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane

trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane (PubChem CID 42643791) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane
PubChem CID42643791
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Nametrimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane
SMILESC[Si](C)(C)C1=C[C@@H]2C[C@H]1C=CC1OC12
InChIInChI=1S/C12H18OSi/c1-14(2,3)11-7-9-6-8(11)4-5-10-12(9)13-10/h4-5,7-10,12H,6H2,1-3H3/t8-,9+,10?,12?/m1/s1
InChIKeyJBCXCOPPFVZOCI-GHHKWEBWSA-N
XLogP2.76
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane
CID 102245486
trimethyl-[(1S,7R)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-9-yl]silane
CID 42644270
trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane
CID 102387711

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane?
The IUPAC name of trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane (CID 42643791) is trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane.
What is the SMILES notation for trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane?
The canonical SMILES for trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane is C[Si](C)(C)C1=C[C@@H]2C[C@H]1C=CC1OC12.
What is the InChIKey of trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane?
The InChIKey is JBCXCOPPFVZOCI-GHHKWEBWSA-N. The full InChI is InChI=1S/C12H18OSi/c1-14(2,3)11-7-9-6-8(11)4-5-10-12(9)13-10/h4-5,7-10,12H,6H2,1-3H3/t8-,9+,10?,12?/m1/s1.
What are the key properties of trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane?
trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane has a molecular weight of 206.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,7S)-3-oxatricyclo[5.2.1.02,4]deca-5,8-dien-8-yl]silane is sourced from PubChem (CID 42643791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).