1-germyl-3-methylbut-2-en-1-ol

C5H12GeO — CID 175741462

IUPAC1-germyl-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)[GeH3]
InChIInChI=1S/C5H12GeO/c1-4(2)3-5(6)7/h3,5,7H,1-2,6H3
InChIKeyUEBRGHYRQCLASY-UHFFFAOYSA-N
MW160.76 g/mol
LogP-0.36
Rot. Bonds1

About 1-germyl-3-methylbut-2-en-1-ol

1-germyl-3-methylbut-2-en-1-ol (PubChem CID 175741462) has the molecular formula C5H12GeO and a molecular weight of 160.76 g/mol. Its IUPAC name is 1-germyl-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name1-germyl-3-methylbut-2-en-1-ol
PubChem CID175741462
Molecular FormulaC5H12GeO
Molecular Weight160.76 g/mol
Exact Mass162.01
IUPAC Name1-germyl-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)[GeH3]
InChIInChI=1S/C5H12GeO/c1-4(2)3-5(6)7/h3,5,7H,1-2,6H3
InChIKeyUEBRGHYRQCLASY-UHFFFAOYSA-N
XLogP-0.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.76
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-germyl-3-methylbut-2-en-1-ol?
The IUPAC name of 1-germyl-3-methylbut-2-en-1-ol (CID 175741462) is 1-germyl-3-methylbut-2-en-1-ol.
What is the SMILES notation for 1-germyl-3-methylbut-2-en-1-ol?
The canonical SMILES for 1-germyl-3-methylbut-2-en-1-ol is CC(C)=CC(O)[GeH3].
What is the InChIKey of 1-germyl-3-methylbut-2-en-1-ol?
The InChIKey is UEBRGHYRQCLASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12GeO/c1-4(2)3-5(6)7/h3,5,7H,1-2,6H3.
What are the key properties of 1-germyl-3-methylbut-2-en-1-ol?
1-germyl-3-methylbut-2-en-1-ol has a molecular weight of 160.76 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-germyl-3-methylbut-2-en-1-ol is sourced from PubChem (CID 175741462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).