tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane

C16H30O2Si — CID 87652053

IUPACtert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
SMILESC=C(C)C1CC2O[C@@]2(C)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2Si/c1-11(2)12-9-13-16(6,17-13)14(10-12)18-19(7,8)15(3,4)5/h12-14H,1,9-10H2,2-8H3/t12?,13?,14?,16-/m1/s1
InChIKeyMWZZSSGBPRVMNZ-RWJFHBPKSA-N
MW282.50 g/mol
LogP4.52
Rot. Bonds3

About tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane (PubChem CID 87652053) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
PubChem CID87652053
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
SMILESC=C(C)C1CC2O[C@@]2(C)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2Si/c1-11(2)12-9-13-16(6,17-13)14(10-12)18-19(7,8)15(3,4)5/h12-14H,1,9-10H2,2-8H3/t12?,13?,14?,16-/m1/s1
InChIKeyMWZZSSGBPRVMNZ-RWJFHBPKSA-N
XLogP4.52
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.52
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R,4R,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl] acetate
CID 102203535
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-chloro-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 71573791
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
methyl (4aR,6S,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,8a-dimethyl-4-oxo-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-4aH-chromene-3-carboxylate
CID 140847785
[(1R,2R,4R,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl] benzoate
CID 102203536
(1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 135026332
(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol
CID 11558462
(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101133967
(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639963
tert-butyl-dimethyl-[[(3R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 11230258
tert-butyl-[[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 10542271
(1R,5S,6S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-1,5-dimethyl-6-[(2-methylpropan-2-yl)oxy]-2-oxabicyclo[3.3.1]nonan-3-one
CID 23584626

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane (CID 87652053) is tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane is C=C(C)C1CC2O[C@@]2(C)C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane?
The InChIKey is MWZZSSGBPRVMNZ-RWJFHBPKSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11(2)12-9-13-16(6,17-13)14(10-12)18-19(7,8)15(3,4)5/h12-14H,1,9-10H2,2-8H3/t12?,13?,14?,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane has a molecular weight of 282.50 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane is sourced from PubChem (CID 87652053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).