tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane

C14H26OSi — CID 54417522

IUPACtert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=CC
InChIInChI=1S/C14H26OSi/c1-9-11-12(3)13(10-2)15-16(7,8)14(4,5)6/h2,9,11-13H,1,3-8H3/t12-,13+/m1/s1
InChIKeyVYMGLBFAIDXTGD-OLZOCXBDSA-N
MW238.45 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane (PubChem CID 54417522) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
PubChem CID54417522
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=CC
InChIInChI=1S/C14H26OSi/c1-9-11-12(3)13(10-2)15-16(7,8)14(4,5)6/h2,9,11-13H,1,3-8H3/t12-,13+/m1/s1
InChIKeyVYMGLBFAIDXTGD-OLZOCXBDSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.22
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane (CID 54417522) is tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=CC.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane?
The InChIKey is VYMGLBFAIDXTGD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26OSi/c1-9-11-12(3)13(10-2)15-16(7,8)14(4,5)6/h2,9,11-13H,1,3-8H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane has a molecular weight of 238.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane is sourced from PubChem (CID 54417522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).