tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane

C18H32O2Si — CID 10018163

IUPACtert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane
SMILESC=CC[C@@H]1C[C@H]2C[C@@]2(CO[Si](C)(C)C(C)(C)C)C=C1OC
InChIInChI=1S/C18H32O2Si/c1-8-9-14-10-15-11-18(15,12-16(14)19-5)13-20-21(6,7)17(2,3)4/h8,12,14-15H,1,9-11,13H2,2-7H3/t14-,15+,18+/m1/s1
InChIKeyZHNGWNLQSAJIOP-VKJFTORMSA-N
MW308.54 g/mol
LogP5.14
Rot. Bonds6

About tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane (PubChem CID 10018163) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane
PubChem CID10018163
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Nametert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane
SMILESC=CC[C@@H]1C[C@H]2C[C@@]2(CO[Si](C)(C)C(C)(C)C)C=C1OC
InChIInChI=1S/C18H32O2Si/c1-8-9-14-10-15-11-18(15,12-16(14)19-5)13-20-21(6,7)17(2,3)4/h8,12,14-15H,1,9-11,13H2,2-7H3/t14-,15+,18+/m1/s1
InChIKeyZHNGWNLQSAJIOP-VKJFTORMSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.14
H-Bond Donors ≤ 50
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 tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane (CID 10018163) is tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane is C=CC[C@@H]1C[C@H]2C[C@@]2(CO[Si](C)(C)C(C)(C)C)C=C1OC.
What is the InChIKey of tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane?
The InChIKey is ZHNGWNLQSAJIOP-VKJFTORMSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-8-9-14-10-15-11-18(15,12-16(14)19-5)13-20-21(6,7)17(2,3)4/h8,12,14-15H,1,9-11,13H2,2-7H3/t14-,15+,18+/m1/s1.
What are the key properties of tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,4R,6S)-3-methoxy-4-prop-2-enyl-1-bicyclo[4.1.0]hept-2-enyl]methoxy]-dimethylsilane is sourced from PubChem (CID 10018163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).