(1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol

C20H42O3SiSn — CID 177444141

IUPAC(1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol
SMILESC/C=C/C(OCOCC[Si](C)(C)C)C(C)(C)C(O)C/C=C\[Sn](C)(C)C
InChIInChI=1S/C17H33O3Si.3CH3.Sn/c1-8-10-15(18)17(3,4)16(11-9-2)20-14-19-12-13-21(5,6)7;;;;/h1,8-9,11,15-16,18H,10,12-14H2,2-7H3;3*1H3;/b8-1?,11-9+;;;;
InChIKeyPBKLMFUZPYFQPB-BFQZZUFQSA-N
MW477.35 g/mol
LogP5.47
Rot. Bonds12

About (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol

(1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol (PubChem CID 177444141) has the molecular formula C20H42O3SiSn and a molecular weight of 477.35 g/mol. Its IUPAC name is (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol.

Molecular Properties

Compound Name(1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol
PubChem CID177444141
Molecular FormulaC20H42O3SiSn
Molecular Weight477.35 g/mol
Exact Mass478.19
IUPAC Name(1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol
SMILESC/C=C/C(OCOCC[Si](C)(C)C)C(C)(C)C(O)C/C=C\[Sn](C)(C)C
InChIInChI=1S/C17H33O3Si.3CH3.Sn/c1-8-10-15(18)17(3,4)16(11-9-2)20-14-19-12-13-21(5,6)7;;;;/h1,8-9,11,15-16,18H,10,12-14H2,2-7H3;3*1H3;/b8-1?,11-9+;;;;
InChIKeyPBKLMFUZPYFQPB-BFQZZUFQSA-N
XLogP5.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.35
LogP ≤ 55.47
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol?
The IUPAC name of (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol (CID 177444141) is (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol.
What is the SMILES notation for (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol?
The canonical SMILES for (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol is C/C=C/C(OCOCC[Si](C)(C)C)C(C)(C)C(O)C/C=C\[Sn](C)(C)C.
What is the InChIKey of (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol?
The InChIKey is PBKLMFUZPYFQPB-BFQZZUFQSA-N. The full InChI is InChI=1S/C17H33O3Si.3CH3.Sn/c1-8-10-15(18)17(3,4)16(11-9-2)20-14-19-12-13-21(5,6)7;;;;/h1,8-9,11,15-16,18H,10,12-14H2,2-7H3;3*1H3;/b8-1?,11-9+;;;;.
What are the key properties of (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol?
(1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol has a molecular weight of 477.35 g/mol, XLogP of 5.47, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7E)-5,5-dimethyl-6-(2-trimethylsilylethoxymethoxy)-1-trimethylstannylnona-1,7-dien-4-ol is sourced from PubChem (CID 177444141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).