3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one

C17H32O3Si — CID 70827515

IUPAC3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(CCCCC(C)(C)[Si](C)(C)O)CC1
InChIInChI=1S/C17H32O3Si/c1-6-20-15-11-10-14(16(18)13-15)9-7-8-12-17(2,3)21(4,5)19/h13-14,19H,6-12H2,1-5H3
InChIKeyHVNYSLNAVUIRNW-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.42
Rot. Bonds8

About 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one

3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one (PubChem CID 70827515) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one
PubChem CID70827515
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(CCCCC(C)(C)[Si](C)(C)O)CC1
InChIInChI=1S/C17H32O3Si/c1-6-20-15-11-10-14(16(18)13-15)9-7-8-12-17(2,3)21(4,5)19/h13-14,19H,6-12H2,1-5H3
InChIKeyHVNYSLNAVUIRNW-UHFFFAOYSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one?
The IUPAC name of 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one (CID 70827515) is 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one is CCOC1=CC(=O)C(CCCCC(C)(C)[Si](C)(C)O)CC1.
What is the InChIKey of 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one?
The InChIKey is HVNYSLNAVUIRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-6-20-15-11-10-14(16(18)13-15)9-7-8-12-17(2,3)21(4,5)19/h13-14,19H,6-12H2,1-5H3.
What are the key properties of 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one?
3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one has a molecular weight of 312.53 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one is sourced from PubChem (CID 70827515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).