2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane

C16H30OSi — CID 57381458

IUPAC2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane
SMILESC=CC#CC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30OSi/c1-10-11-12-16(8,9)17-18(13(2)3,14(4)5)15(6)7/h10,13-15H,1H2,2-9H3
InChIKeyCHRVLZTYGABZLW-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.15
Rot. Bonds5

About 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane

2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane (PubChem CID 57381458) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane
PubChem CID57381458
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane
SMILESC=CC#CC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30OSi/c1-10-11-12-16(8,9)17-18(13(2)3,14(4)5)15(6)7/h10,13-15H,1H2,2-9H3
InChIKeyCHRVLZTYGABZLW-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.15
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 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane?
The IUPAC name of 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane (CID 57381458) is 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane is C=CC#CC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane?
The InChIKey is CHRVLZTYGABZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-10-11-12-16(8,9)17-18(13(2)3,14(4)5)15(6)7/h10,13-15H,1H2,2-9H3.
What are the key properties of 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane?
2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane has a molecular weight of 266.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-5-en-3-yn-2-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 57381458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).