trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane

C13H26O2Si — CID 141284988

IUPACtrimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane
SMILESC[Si](C)(C)OCCCCC1CCC2OC2C1
InChIInChI=1S/C13H26O2Si/c1-16(2,3)14-9-5-4-6-11-7-8-12-13(10-11)15-12/h11-13H,4-10H2,1-3H3
InChIKeyQTUCWJMFGQPVQN-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.58
Rot. Bonds6

About trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane

trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane (PubChem CID 141284988) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane
PubChem CID141284988
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametrimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane
SMILESC[Si](C)(C)OCCCCC1CCC2OC2C1
InChIInChI=1S/C13H26O2Si/c1-16(2,3)14-9-5-4-6-11-7-8-12-13(10-11)15-12/h11-13H,4-10H2,1-3H3
InChIKeyQTUCWJMFGQPVQN-UHFFFAOYSA-N
XLogP3.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate
CID 87895424
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl 2-methylprop-2-enoate
CID 87233020
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
CID 89156746
[2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane
CID 173466299
3-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 21422024
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
diethyl-(2-methoxyethoxy)-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292663
2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 58891764
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;3-trimethoxysilylpropane-1-thiol
CID 18692870

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane?
The IUPAC name of trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane (CID 141284988) is trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane.
What is the SMILES notation for trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane?
The canonical SMILES for trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane is C[Si](C)(C)OCCCCC1CCC2OC2C1.
What is the InChIKey of trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane?
The InChIKey is QTUCWJMFGQPVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-16(2,3)14-9-5-4-6-11-7-8-12-13(10-11)15-12/h11-13H,4-10H2,1-3H3.
What are the key properties of trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane?
trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane has a molecular weight of 242.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane is sourced from PubChem (CID 141284988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).