4-(3-methylbutyl)oxatrisilinane

C7H20OSi3 — CID 175184500

IUPAC4-(3-methylbutyl)oxatrisilinane
SMILESCC(C)CC[SiH]1CCO[SiH2][SiH2]1
InChIInChI=1S/C7H20OSi3/c1-7(2)3-5-11-6-4-8-9-10-11/h7,11H,3-6,9-10H2,1-2H3
InChIKeySDSLOMCUTDKUDY-UHFFFAOYSA-N
MW204.49 g/mol
LogP-0.05
Rot. Bonds3

About 4-(3-methylbutyl)oxatrisilinane

4-(3-methylbutyl)oxatrisilinane (PubChem CID 175184500) has the molecular formula C7H20OSi3 and a molecular weight of 204.49 g/mol. Its IUPAC name is 4-(3-methylbutyl)oxatrisilinane.

Molecular Properties

Compound Name4-(3-methylbutyl)oxatrisilinane
PubChem CID175184500
Molecular FormulaC7H20OSi3
Molecular Weight204.49 g/mol
Exact Mass204.08
IUPAC Name4-(3-methylbutyl)oxatrisilinane
SMILESCC(C)CC[SiH]1CCO[SiH2][SiH2]1
InChIInChI=1S/C7H20OSi3/c1-7(2)3-5-11-6-4-8-9-10-11/h7,11H,3-6,9-10H2,1-2H3
InChIKeySDSLOMCUTDKUDY-UHFFFAOYSA-N
XLogP-0.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.49
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutyl)oxadisilinane
CID 173196634
1-(oxatrisilinan-4-ylsilyl)ethyl acetate
CID 173095811
2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane
CID 90807510
2-hept-6-en-2-yloxasilinane
CID 173367365
2-(3-methylbutyl)-1,2-oxazolidine
CID 126991187
2-(5-methylhexyl)oxetane
CID 173452744
4-(3-methylbutyl)morpholin-3-one
CID 58222536
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-(2-methylpropyl)pentan-1-amine
CID 114867657
CID 87257407
CID 87257407
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
2-[2-(3-methylbutoxy)ethyl]oxetane
CID 150212884

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)oxatrisilinane?
The IUPAC name of 4-(3-methylbutyl)oxatrisilinane (CID 175184500) is 4-(3-methylbutyl)oxatrisilinane.
What is the SMILES notation for 4-(3-methylbutyl)oxatrisilinane?
The canonical SMILES for 4-(3-methylbutyl)oxatrisilinane is CC(C)CC[SiH]1CCO[SiH2][SiH2]1.
What is the InChIKey of 4-(3-methylbutyl)oxatrisilinane?
The InChIKey is SDSLOMCUTDKUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20OSi3/c1-7(2)3-5-11-6-4-8-9-10-11/h7,11H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)oxatrisilinane?
4-(3-methylbutyl)oxatrisilinane has a molecular weight of 204.49 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)oxatrisilinane is sourced from PubChem (CID 175184500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).