(3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane

C14H30OSi — CID 173272946

IUPAC(3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane
SMILESCC(C)(C)C1CCCCC(CO[SiH3])C1(C)C
InChIInChI=1S/C14H30OSi/c1-13(2,3)12-9-7-6-8-11(10-15-16)14(12,4)5/h11-12H,6-10H2,1-5,16H3
InChIKeyIQOKSUNMAMXUCI-UHFFFAOYSA-N
MW242.48 g/mol
LogP3.16
Rot. Bonds2

About (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane

(3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane (PubChem CID 173272946) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane.

Molecular Properties

Compound Name(3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane
PubChem CID173272946
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name(3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane
SMILESCC(C)(C)C1CCCCC(CO[SiH3])C1(C)C
InChIInChI=1S/C14H30OSi/c1-13(2,3)12-9-7-6-8-11(10-15-16)14(12,4)5/h11-12H,6-10H2,1-5,16H3
InChIKeyIQOKSUNMAMXUCI-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 53.16
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-butyl-2,2-dimethylcycloheptyl)methoxysilane?
The IUPAC name of (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane (CID 173272946) is (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane.
What is the SMILES notation for (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane?
The canonical SMILES for (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane is CC(C)(C)C1CCCCC(CO[SiH3])C1(C)C.
What is the InChIKey of (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane?
The InChIKey is IQOKSUNMAMXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-13(2,3)12-9-7-6-8-11(10-15-16)14(12,4)5/h11-12H,6-10H2,1-5,16H3.
What are the key properties of (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane?
(3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane has a molecular weight of 242.48 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane is sourced from PubChem (CID 173272946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).