but-1-enoxy-heptan-4-yl-dimethoxysilane

C13H28O3Si — CID 174803107

IUPACbut-1-enoxy-heptan-4-yl-dimethoxysilane
SMILESCCC=CO[Si](OC)(OC)C(CCC)CCC
InChIInChI=1S/C13H28O3Si/c1-6-9-12-16-17(14-4,15-5)13(10-7-2)11-8-3/h9,12-13H,6-8,10-11H2,1-5H3
InChIKeyATIHFLIYVSUISE-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.13
Rot. Bonds10

About but-1-enoxy-heptan-4-yl-dimethoxysilane

but-1-enoxy-heptan-4-yl-dimethoxysilane (PubChem CID 174803107) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is but-1-enoxy-heptan-4-yl-dimethoxysilane.

Molecular Properties

Compound Namebut-1-enoxy-heptan-4-yl-dimethoxysilane
PubChem CID174803107
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namebut-1-enoxy-heptan-4-yl-dimethoxysilane
SMILESCCC=CO[Si](OC)(OC)C(CCC)CCC
InChIInChI=1S/C13H28O3Si/c1-6-9-12-16-17(14-4,15-5)13(10-7-2)11-8-3/h9,12-13H,6-8,10-11H2,1-5H3
InChIKeyATIHFLIYVSUISE-UHFFFAOYSA-N
XLogP4.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 5366227
trimethoxy(pent-2-enyl)silane
CID 141471181
trimethoxy-[1-(3-methoxyprop-1-enoxy)propyl]silane
CID 175046191
3-trimethoxysilyltetradecan-1-amine
CID 22997270
ethyl 2-trimethoxysilylpentanedithioate
CID 141147269
(E,5S)-5-methylnon-3-ene
CID 101420891
1-azidobutyl(trimethoxy)silane
CID 152514280
8-trimethoxysilylhenicosan-11-amine;hydrochloride
CID 173245957
hexan-3-yl-tri(propan-2-yloxy)silane
CID 141028246
1-but-1-enoxy-N-methylethanamine
CID 174790469
ethoxyethane;1-trimethoxysilylbutyl prop-2-enoate
CID 174844646
(E)-1-[(Z)-but-1-enoxy]pent-1-ene
CID 173340391

Frequently Asked Questions

What is the IUPAC name of but-1-enoxy-heptan-4-yl-dimethoxysilane?
The IUPAC name of but-1-enoxy-heptan-4-yl-dimethoxysilane (CID 174803107) is but-1-enoxy-heptan-4-yl-dimethoxysilane.
What is the SMILES notation for but-1-enoxy-heptan-4-yl-dimethoxysilane?
The canonical SMILES for but-1-enoxy-heptan-4-yl-dimethoxysilane is CCC=CO[Si](OC)(OC)C(CCC)CCC.
What is the InChIKey of but-1-enoxy-heptan-4-yl-dimethoxysilane?
The InChIKey is ATIHFLIYVSUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-9-12-16-17(14-4,15-5)13(10-7-2)11-8-3/h9,12-13H,6-8,10-11H2,1-5H3.
What are the key properties of but-1-enoxy-heptan-4-yl-dimethoxysilane?
but-1-enoxy-heptan-4-yl-dimethoxysilane has a molecular weight of 260.45 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enoxy-heptan-4-yl-dimethoxysilane is sourced from PubChem (CID 174803107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).