2-methyl-4-propoxybut-3-yn-2-ol

C8H14O2 — CID 134987375

IUPAC2-methyl-4-propoxybut-3-yn-2-ol
SMILESCCCOC#CC(C)(C)O
InChIInChI=1S/C8H14O2/c1-4-6-10-7-5-8(2,3)9/h9H,4,6H2,1-3H3
InChIKeyOKBZQTNSZDTFSK-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.14
Rot. Bonds2

About 2-methyl-4-propoxybut-3-yn-2-ol

2-methyl-4-propoxybut-3-yn-2-ol (PubChem CID 134987375) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-4-propoxybut-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-4-propoxybut-3-yn-2-ol
PubChem CID134987375
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-4-propoxybut-3-yn-2-ol
SMILESCCCOC#CC(C)(C)O
InChIInChI=1S/C8H14O2/c1-4-6-10-7-5-8(2,3)9/h9H,4,6H2,1-3H3
InChIKeyOKBZQTNSZDTFSK-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propoxybut-3-yn-2-ol?
The IUPAC name of 2-methyl-4-propoxybut-3-yn-2-ol (CID 134987375) is 2-methyl-4-propoxybut-3-yn-2-ol.
What is the SMILES notation for 2-methyl-4-propoxybut-3-yn-2-ol?
The canonical SMILES for 2-methyl-4-propoxybut-3-yn-2-ol is CCCOC#CC(C)(C)O.
What is the InChIKey of 2-methyl-4-propoxybut-3-yn-2-ol?
The InChIKey is OKBZQTNSZDTFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-10-7-5-8(2,3)9/h9H,4,6H2,1-3H3.
What are the key properties of 2-methyl-4-propoxybut-3-yn-2-ol?
2-methyl-4-propoxybut-3-yn-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propoxybut-3-yn-2-ol is sourced from PubChem (CID 134987375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).