trimethyl 5-methylhex-1-en-3-yl silicate

C10H22O4Si — CID 175216166

IUPACtrimethyl 5-methylhex-1-en-3-yl silicate
SMILESC=CC(CC(C)C)O[Si](OC)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-7-10(8-9(2)3)14-15(11-4,12-5)13-6/h7,9-10H,1,8H2,2-6H3
InChIKeyKVPQSQMXQQINAB-UHFFFAOYSA-N
MW234.37 g/mol
LogP1.98
Rot. Bonds8

About trimethyl 5-methylhex-1-en-3-yl silicate

trimethyl 5-methylhex-1-en-3-yl silicate (PubChem CID 175216166) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is trimethyl 5-methylhex-1-en-3-yl silicate.

Molecular Properties

Compound Nametrimethyl 5-methylhex-1-en-3-yl silicate
PubChem CID175216166
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Nametrimethyl 5-methylhex-1-en-3-yl silicate
SMILESC=CC(CC(C)C)O[Si](OC)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-7-10(8-9(2)3)14-15(11-4,12-5)13-6/h7,9-10H,1,8H2,2-6H3
InChIKeyKVPQSQMXQQINAB-UHFFFAOYSA-N
XLogP1.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethyl 5-methylhex-1-en-3-yl silicate?
The IUPAC name of trimethyl 5-methylhex-1-en-3-yl silicate (CID 175216166) is trimethyl 5-methylhex-1-en-3-yl silicate.
What is the SMILES notation for trimethyl 5-methylhex-1-en-3-yl silicate?
The canonical SMILES for trimethyl 5-methylhex-1-en-3-yl silicate is C=CC(CC(C)C)O[Si](OC)(OC)OC.
What is the InChIKey of trimethyl 5-methylhex-1-en-3-yl silicate?
The InChIKey is KVPQSQMXQQINAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-7-10(8-9(2)3)14-15(11-4,12-5)13-6/h7,9-10H,1,8H2,2-6H3.
What are the key properties of trimethyl 5-methylhex-1-en-3-yl silicate?
trimethyl 5-methylhex-1-en-3-yl silicate has a molecular weight of 234.37 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 5-methylhex-1-en-3-yl silicate is sourced from PubChem (CID 175216166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).