4-Diisopropylsilyloxy-2-methyloct-5-yne

C15H29OSi — CID 6327732

IUPAC—
SMILESCCC#CC(CC(C)C)O[Si](C(C)C)C(C)C
InChIInChI=1S/C15H29OSi/c1-8-9-10-15(11-12(2)3)16-17(13(4)5)14(6)7/h12-15H,8,11H2,1-7H3
InChIKeyVDSKBQKGYIJGDP-UHFFFAOYSA-N
MW253.48 g/mol
LogP4.64
Rot. Bonds6

About 4-Diisopropylsilyloxy-2-methyloct-5-yne

4-Diisopropylsilyloxy-2-methyloct-5-yne (PubChem CID 6327732) has the molecular formula C15H29OSi and a molecular weight of 253.48 g/mol.

Molecular Properties

Compound Name4-Diisopropylsilyloxy-2-methyloct-5-yne
PubChem CID6327732
Molecular FormulaC15H29OSi
Molecular Weight253.48 g/mol
Exact Mass253.20
IUPAC Name—
SMILESCCC#CC(CC(C)C)O[Si](C(C)C)C(C)C
InChIInChI=1S/C15H29OSi/c1-8-9-10-15(11-12(2)3)16-17(13(4)5)14(6)7/h12-15H,8,11H2,1-7H3
InChIKeyVDSKBQKGYIJGDP-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.48
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-Diisopropylsilyloxy-2-methyloct-5-yne?
The IUPAC name of 4-Diisopropylsilyloxy-2-methyloct-5-yne (CID 6327732) is not available.
What is the SMILES notation for 4-Diisopropylsilyloxy-2-methyloct-5-yne?
The canonical SMILES for 4-Diisopropylsilyloxy-2-methyloct-5-yne is CCC#CC(CC(C)C)O[Si](C(C)C)C(C)C.
What is the InChIKey of 4-Diisopropylsilyloxy-2-methyloct-5-yne?
The InChIKey is VDSKBQKGYIJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29OSi/c1-8-9-10-15(11-12(2)3)16-17(13(4)5)14(6)7/h12-15H,8,11H2,1-7H3.
What are the key properties of 4-Diisopropylsilyloxy-2-methyloct-5-yne?
4-Diisopropylsilyloxy-2-methyloct-5-yne has a molecular weight of 253.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Diisopropylsilyloxy-2-methyloct-5-yne is sourced from PubChem (CID 6327732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).