4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane

C19H40O3Si — CID 174706087

IUPAC4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
SMILESC=CCC(C)C.CCOC1(CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C13H28O3Si.C6H12/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-4-5-6(2)3/h5-12H2,1-4H3;4,6H,1,5H2,2-3H3
InChIKeyYFCGKBDQQMWZFB-UHFFFAOYSA-N
MW344.61 g/mol
LogP5.63
Rot. Bonds9

About 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane

4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174706087) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Name4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174706087
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Name4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
SMILESC=CCC(C)C.CCOC1(CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C13H28O3Si.C6H12/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-4-5-6(2)3/h5-12H2,1-4H3;4,6H,1,5H2,2-3H3
InChIKeyYFCGKBDQQMWZFB-UHFFFAOYSA-N
XLogP5.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane (CID 174706087) is 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane is C=CCC(C)C.CCOC1(CC)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is YFCGKBDQQMWZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si.C6H12/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;1-4-5-6(2)3/h5-12H2,1-4H3;4,6H,1,5H2,2-3H3.
What are the key properties of 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane?
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 344.61 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174706087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).