1-(4-methylpent-1-en-2-yloxy)butan-2-ol

C10H20O2 — CID 122449118

IUPAC1-(4-methylpent-1-en-2-yloxy)butan-2-ol
SMILESC=C(CC(C)C)OCC(O)CC
InChIInChI=1S/C10H20O2/c1-5-10(11)7-12-9(4)6-8(2)3/h8,10-11H,4-7H2,1-3H3
InChIKeyPEGDMLLWHHXVSI-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.33
Rot. Bonds6

About 1-(4-methylpent-1-en-2-yloxy)butan-2-ol

1-(4-methylpent-1-en-2-yloxy)butan-2-ol (PubChem CID 122449118) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(4-methylpent-1-en-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name1-(4-methylpent-1-en-2-yloxy)butan-2-ol
PubChem CID122449118
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(4-methylpent-1-en-2-yloxy)butan-2-ol
SMILESC=C(CC(C)C)OCC(O)CC
InChIInChI=1S/C10H20O2/c1-5-10(11)7-12-9(4)6-8(2)3/h8,10-11H,4-7H2,1-3H3
InChIKeyPEGDMLLWHHXVSI-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(4-methylpent-1-en-2-yloxy)butan-2-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 1-(4-methylpent-1-en-2-yloxy)butan-2-ol?
The IUPAC name of 1-(4-methylpent-1-en-2-yloxy)butan-2-ol (CID 122449118) is 1-(4-methylpent-1-en-2-yloxy)butan-2-ol.
What is the SMILES notation for 1-(4-methylpent-1-en-2-yloxy)butan-2-ol?
The canonical SMILES for 1-(4-methylpent-1-en-2-yloxy)butan-2-ol is C=C(CC(C)C)OCC(O)CC.
What is the InChIKey of 1-(4-methylpent-1-en-2-yloxy)butan-2-ol?
The InChIKey is PEGDMLLWHHXVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-10(11)7-12-9(4)6-8(2)3/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-(4-methylpent-1-en-2-yloxy)butan-2-ol?
1-(4-methylpent-1-en-2-yloxy)butan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-1-en-2-yloxy)butan-2-ol is sourced from PubChem (CID 122449118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).