(6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane

C15H28OSi — CID 173335751

IUPAC(6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane
SMILESCCC1(C(C)(C)C)C=CC=CC1CO[SiH](C)C
InChIInChI=1S/C15H28OSi/c1-7-15(14(2,3)4)11-9-8-10-13(15)12-16-17(5)6/h8-11,13,17H,7,12H2,1-6H3
InChIKeyGTDHOXMAJLEFAC-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.17
Rot. Bonds4

About (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane

(6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane (PubChem CID 173335751) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane.

Molecular Properties

Compound Name(6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane
PubChem CID173335751
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane
SMILESCCC1(C(C)(C)C)C=CC=CC1CO[SiH](C)C
InChIInChI=1S/C15H28OSi/c1-7-15(14(2,3)4)11-9-8-10-13(15)12-16-17(5)6/h8-11,13,17H,7,12H2,1-6H3
InChIKeyGTDHOXMAJLEFAC-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.17
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 (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane?
The IUPAC name of (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane (CID 173335751) is (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane.
What is the SMILES notation for (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane?
The canonical SMILES for (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane is CCC1(C(C)(C)C)C=CC=CC1CO[SiH](C)C.
What is the InChIKey of (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane?
The InChIKey is GTDHOXMAJLEFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-7-15(14(2,3)4)11-9-8-10-13(15)12-16-17(5)6/h8-11,13,17H,7,12H2,1-6H3.
What are the key properties of (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane?
(6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-6-ethylcyclohexa-2,4-dien-1-yl)methoxy-dimethylsilane is sourced from PubChem (CID 173335751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).