2-(trimethylsilylmethyl)pent-4-en-1-ol

C9H20OSi — CID 15248223

IUPAC2-(trimethylsilylmethyl)pent-4-en-1-ol
SMILESC=CCC(CO)C[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-5-6-9(7-10)8-11(2,3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyKLDYDUDELXHVMJ-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.51
Rot. Bonds5

About 2-(trimethylsilylmethyl)pent-4-en-1-ol

2-(trimethylsilylmethyl)pent-4-en-1-ol (PubChem CID 15248223) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 2-(trimethylsilylmethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name2-(trimethylsilylmethyl)pent-4-en-1-ol
PubChem CID15248223
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2-(trimethylsilylmethyl)pent-4-en-1-ol
SMILESC=CCC(CO)C[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-5-6-9(7-10)8-11(2,3)4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyKLDYDUDELXHVMJ-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(trimethylsilylmethyl)pent-4-en-1-ol?
The IUPAC name of 2-(trimethylsilylmethyl)pent-4-en-1-ol (CID 15248223) is 2-(trimethylsilylmethyl)pent-4-en-1-ol.
What is the SMILES notation for 2-(trimethylsilylmethyl)pent-4-en-1-ol?
The canonical SMILES for 2-(trimethylsilylmethyl)pent-4-en-1-ol is C=CCC(CO)C[Si](C)(C)C.
What is the InChIKey of 2-(trimethylsilylmethyl)pent-4-en-1-ol?
The InChIKey is KLDYDUDELXHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-5-6-9(7-10)8-11(2,3)4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 2-(trimethylsilylmethyl)pent-4-en-1-ol?
2-(trimethylsilylmethyl)pent-4-en-1-ol has a molecular weight of 172.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilylmethyl)pent-4-en-1-ol is sourced from PubChem (CID 15248223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).