(E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol

C9H20OSi — CID 134900952

IUPAC(E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol
SMILESC[C@H](CO)C/C=C/[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-9(8-10)6-5-7-11(2,3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+/t9-/m0/s1
InChIKeyONSXKICKGXHKAQ-IWGCBNPKSA-N
MW172.34 g/mol
LogP2.44
Rot. Bonds4

About (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol

(E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol (PubChem CID 134900952) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol.

Molecular Properties

Compound Name(E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol
PubChem CID134900952
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol
SMILESC[C@H](CO)C/C=C/[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-9(8-10)6-5-7-11(2,3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+/t9-/m0/s1
InChIKeyONSXKICKGXHKAQ-IWGCBNPKSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol?
The IUPAC name of (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol (CID 134900952) is (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol.
What is the SMILES notation for (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol?
The canonical SMILES for (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol is C[C@H](CO)C/C=C/[Si](C)(C)C.
What is the InChIKey of (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol?
The InChIKey is ONSXKICKGXHKAQ-IWGCBNPKSA-N. The full InChI is InChI=1S/C9H20OSi/c1-9(8-10)6-5-7-11(2,3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+/t9-/m0/s1.
What are the key properties of (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol?
(E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol has a molecular weight of 172.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-methyl-5-trimethylsilylpent-4-en-1-ol is sourced from PubChem (CID 134900952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).