(3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane

C13H26OSi — CID 554803

IUPAC(3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)OC1CCC(C)C(C)C1
InChIInChI=1S/C13H26OSi/c1-6-9-15(4,5)14-13-8-7-11(2)12(3)10-13/h6,11-13H,1,7-10H2,2-5H3
InChIKeySTMWIRHILOSMQN-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.22
Rot. Bonds4

About (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane

(3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane (PubChem CID 554803) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane
PubChem CID554803
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)OC1CCC(C)C(C)C1
InChIInChI=1S/C13H26OSi/c1-6-9-15(4,5)14-13-8-7-11(2)12(3)10-13/h6,11-13H,1,7-10H2,2-5H3
InChIKeySTMWIRHILOSMQN-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane?
The IUPAC name of (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane (CID 554803) is (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane.
What is the SMILES notation for (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane?
The canonical SMILES for (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)OC1CCC(C)C(C)C1.
What is the InChIKey of (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane?
The InChIKey is STMWIRHILOSMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-6-9-15(4,5)14-13-8-7-11(2)12(3)10-13/h6,11-13H,1,7-10H2,2-5H3.
What are the key properties of (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane?
(3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)oxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 554803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).