tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane

C14H26O2Si — CID 10890472

IUPACtert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane
SMILESC#CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-9-12-13(10-8-11-15-12)16-17(5,6)14(2,3)4/h1,12-13H,8-11H2,2-6H3/t12-,13+/m1/s1
InChIKeyZPXLKWWOCRCULD-OLZOCXBDSA-N
MW254.45 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane

tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane (PubChem CID 10890472) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane
PubChem CID10890472
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane
SMILESC#CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-9-12-13(10-8-11-15-12)16-17(5,6)14(2,3)4/h1,12-13H,8-11H2,2-6H3/t12-,13+/m1/s1
InChIKeyZPXLKWWOCRCULD-OLZOCXBDSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
CID 139247738
tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514596
tert-butyl-[(2R,3S)-2-(2-iodoethyl)oxan-3-yl]oxy-dimethylsilane
CID 10690499
tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57251271
(2-Ethyloxan-3-yl)oxy-trimethylsilane
CID 90696455
tert-butyl-[(2R)-1-cyclohexyloxybut-3-yn-2-yl]oxy-dimethylsilane
CID 139770400
tert-butyl-dimethyl-[(2R,4S)-2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
CID 150504388
Tert-butyl-dimethyl-[2-(prop-2-ynoxymethyl)oxan-4-yl]oxysilane
CID 173780798
lithium tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514595
triethyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxysilane
CID 10660760
tert-butyl-dimethyl-[(2R,3S)-2-pent-1-ynyloxan-3-yl]oxysilane
CID 10978933
tert-butyl-dimethyl-[(2S,3S)-2-pent-1-ynyloxan-3-yl]oxysilane
CID 11022380

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane (CID 10890472) is tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane is C#CC[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane?
The InChIKey is ZPXLKWWOCRCULD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-9-12-13(10-8-11-15-12)16-17(5,6)14(2,3)4/h1,12-13H,8-11H2,2-6H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane?
tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane has a molecular weight of 254.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3S)-2-prop-2-ynyloxan-3-yl]oxysilane is sourced from PubChem (CID 10890472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).