but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane

C15H34O4Si — CID 174422975

IUPACbut-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane
SMILESC=CCC.CCCCCO[SiH2]C(OC)(OC)C(C)OC
InChIInChI=1S/C11H26O4Si.C4H8/c1-6-7-8-9-15-16-11(13-4,14-5)10(2)12-3;1-3-4-2/h10H,6-9,16H2,1-5H3;3H,1,4H2,2H3
InChIKeySOMLLBKFVUMBKZ-UHFFFAOYSA-N
MW306.52 g/mol
LogP2.84
Rot. Bonds11

About but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane

but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane (PubChem CID 174422975) has the molecular formula C15H34O4Si and a molecular weight of 306.52 g/mol. Its IUPAC name is but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane.

Molecular Properties

Compound Namebut-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane
PubChem CID174422975
Molecular FormulaC15H34O4Si
Molecular Weight306.52 g/mol
Exact Mass306.22
IUPAC Namebut-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane
SMILESC=CCC.CCCCCO[SiH2]C(OC)(OC)C(C)OC
InChIInChI=1S/C11H26O4Si.C4H8/c1-6-7-8-9-15-16-11(13-4,14-5)10(2)12-3;1-3-4-2/h10H,6-9,16H2,1-5H3;3H,1,4H2,2H3
InChIKeySOMLLBKFVUMBKZ-UHFFFAOYSA-N
XLogP2.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane?
The IUPAC name of but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane (CID 174422975) is but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane.
What is the SMILES notation for but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane?
The canonical SMILES for but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane is C=CCC.CCCCCO[SiH2]C(OC)(OC)C(C)OC.
What is the InChIKey of but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane?
The InChIKey is SOMLLBKFVUMBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O4Si.C4H8/c1-6-7-8-9-15-16-11(13-4,14-5)10(2)12-3;1-3-4-2/h10H,6-9,16H2,1-5H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane?
but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane has a molecular weight of 306.52 g/mol, XLogP of 2.84, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;pentoxy(1,1,2-trimethoxypropyl)silane is sourced from PubChem (CID 174422975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).