3-cyclohexylhept-6-en-2-yl(triethoxy)silane

C19H38O3Si — CID 66694737

IUPAC3-cyclohexylhept-6-en-2-yl(triethoxy)silane
SMILESC=CCCC(C1CCCCC1)C(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C19H38O3Si/c1-6-10-16-19(18-14-12-11-13-15-18)17(5)23(20-7-2,21-8-3)22-9-4/h6,17-19H,1,7-16H2,2-5H3
InChIKeyQJRRHQCBMWICKO-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.59
Rot. Bonds12

About 3-cyclohexylhept-6-en-2-yl(triethoxy)silane

3-cyclohexylhept-6-en-2-yl(triethoxy)silane (PubChem CID 66694737) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is 3-cyclohexylhept-6-en-2-yl(triethoxy)silane.

Molecular Properties

Compound Name3-cyclohexylhept-6-en-2-yl(triethoxy)silane
PubChem CID66694737
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name3-cyclohexylhept-6-en-2-yl(triethoxy)silane
SMILESC=CCCC(C1CCCCC1)C(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C19H38O3Si/c1-6-10-16-19(18-14-12-11-13-15-18)17(5)23(20-7-2,21-8-3)22-9-4/h6,17-19H,1,7-16H2,2-5H3
InChIKeyQJRRHQCBMWICKO-UHFFFAOYSA-N
XLogP5.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexylhept-6-en-2-yl(triethoxy)silane?
The IUPAC name of 3-cyclohexylhept-6-en-2-yl(triethoxy)silane (CID 66694737) is 3-cyclohexylhept-6-en-2-yl(triethoxy)silane.
What is the SMILES notation for 3-cyclohexylhept-6-en-2-yl(triethoxy)silane?
The canonical SMILES for 3-cyclohexylhept-6-en-2-yl(triethoxy)silane is C=CCCC(C1CCCCC1)C(C)[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-cyclohexylhept-6-en-2-yl(triethoxy)silane?
The InChIKey is QJRRHQCBMWICKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-6-10-16-19(18-14-12-11-13-15-18)17(5)23(20-7-2,21-8-3)22-9-4/h6,17-19H,1,7-16H2,2-5H3.
What are the key properties of 3-cyclohexylhept-6-en-2-yl(triethoxy)silane?
3-cyclohexylhept-6-en-2-yl(triethoxy)silane has a molecular weight of 342.60 g/mol, XLogP of 5.59, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylhept-6-en-2-yl(triethoxy)silane is sourced from PubChem (CID 66694737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).