(3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane

C13H26OSi — CID 173114472

IUPAC(3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane
SMILESC[SiH](C)OC1=CC(C(C)(C)C)CCCC1
InChIInChI=1S/C13H26OSi/c1-13(2,3)11-8-6-7-9-12(10-11)14-15(4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyVUKVQKIMNQULSS-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.11
Rot. Bonds2

About (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane

(3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane (PubChem CID 173114472) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane
PubChem CID173114472
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane
SMILESC[SiH](C)OC1=CC(C(C)(C)C)CCCC1
InChIInChI=1S/C13H26OSi/c1-13(2,3)11-8-6-7-9-12(10-11)14-15(4)5/h10-11,15H,6-9H2,1-5H3
InChIKeyVUKVQKIMNQULSS-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane?
The IUPAC name of (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane (CID 173114472) is (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane.
What is the SMILES notation for (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane?
The canonical SMILES for (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane is C[SiH](C)OC1=CC(C(C)(C)C)CCCC1.
What is the InChIKey of (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane?
The InChIKey is VUKVQKIMNQULSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-13(2,3)11-8-6-7-9-12(10-11)14-15(4)5/h10-11,15H,6-9H2,1-5H3.
What are the key properties of (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane?
(3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclohepten-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 173114472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).