(Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol

C13H28O3Si — CID 102001456

IUPAC(Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol
SMILESCCOC(OCC)/C(=C\[Si](C)(C)C)C(O)CC
InChIInChI=1S/C13H28O3Si/c1-7-12(14)11(10-17(4,5)6)13(15-8-2)16-9-3/h10,12-14H,7-9H2,1-6H3/b11-10-
InChIKeyURSSERAHCOOVIC-KHPPLWFESA-N
MW260.45 g/mol
LogP2.96
Rot. Bonds8

About (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol

(Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol (PubChem CID 102001456) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol
PubChem CID102001456
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol
SMILESCCOC(OCC)/C(=C\[Si](C)(C)C)C(O)CC
InChIInChI=1S/C13H28O3Si/c1-7-12(14)11(10-17(4,5)6)13(15-8-2)16-9-3/h10,12-14H,7-9H2,1-6H3/b11-10-
InChIKeyURSSERAHCOOVIC-KHPPLWFESA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol?
The IUPAC name of (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol (CID 102001456) is (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol is CCOC(OCC)/C(=C\[Si](C)(C)C)C(O)CC.
What is the InChIKey of (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol?
The InChIKey is URSSERAHCOOVIC-KHPPLWFESA-N. The full InChI is InChI=1S/C13H28O3Si/c1-7-12(14)11(10-17(4,5)6)13(15-8-2)16-9-3/h10,12-14H,7-9H2,1-6H3/b11-10-.
What are the key properties of (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol?
(Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol has a molecular weight of 260.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(diethoxymethyl)-1-trimethylsilylpent-1-en-3-ol is sourced from PubChem (CID 102001456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).