tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane

C12H24OSi — CID 10774968

IUPACtert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane
SMILES[2H][C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9,11H,6,8,10H2,1-5H3/t11-/m0/s1/i6D/t6-,11-
InChIKeyPLPADPABNLKVHY-YWGJFZOMSA-N
MW213.42 g/mol
LogP4.12
Rot. Bonds2

About tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 10774968) has the molecular formula C12H24OSi and a molecular weight of 213.42 g/mol. Its IUPAC name is tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID10774968
Molecular FormulaC12H24OSi
Molecular Weight213.42 g/mol
Exact Mass213.17
IUPAC Nametert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane
SMILES[2H][C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9,11H,6,8,10H2,1-5H3/t11-/m0/s1/i6D/t6-,11-
InChIKeyPLPADPABNLKVHY-YWGJFZOMSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.42
LogP ≤ 54.12
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'}

Analyze tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane 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

(2-Cyclopenten-1-yloxy)(triisopropyl)silane
CID 10977584
Cyclopent-2-en-1-yloxy(trimethyl)silane
CID 12504315
(2-Cyclohexen-1-yloxy)(trimethyl)silane
CID 521533
Cyclohex-2-en-1-yloxy-dimethylsilyloxy-dimethylsilane
CID 146161495
Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
CID 9815574
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
Ctk0J4668
CID 11106001
tert-Butyldimethyl (1-methylhex-5-enyloxy)silane
CID 11241664
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
Cyclohept-2-en-1-yloxy(trimethyl)silane
CID 12504316
tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane
CID 58815025

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane (CID 10774968) is tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane is [2H][C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is PLPADPABNLKVHY-YWGJFZOMSA-N. The full InChI is InChI=1S/C12H24OSi/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11/h7,9,11H,6,8,10H2,1-5H3/t11-/m0/s1/i6D/t6-,11-.
What are the key properties of tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 213.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,4R)-4-deuteriocyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10774968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).