2-methyl-4-propan-2-yloxybut-3-yn-2-ol

C8H14O2 — CID 15004643

IUPAC2-methyl-4-propan-2-yloxybut-3-yn-2-ol
SMILESCC(C)OC#CC(C)(C)O
InChIInChI=1S/C8H14O2/c1-7(2)10-6-5-8(3,4)9/h7,9H,1-4H3
InChIKeyBRGNWTUFJNJGSC-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.14
Rot. Bonds1

About 2-methyl-4-propan-2-yloxybut-3-yn-2-ol

2-methyl-4-propan-2-yloxybut-3-yn-2-ol (PubChem CID 15004643) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yloxybut-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-4-propan-2-yloxybut-3-yn-2-ol
PubChem CID15004643
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-4-propan-2-yloxybut-3-yn-2-ol
SMILESCC(C)OC#CC(C)(C)O
InChIInChI=1S/C8H14O2/c1-7(2)10-6-5-8(3,4)9/h7,9H,1-4H3
InChIKeyBRGNWTUFJNJGSC-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-Heptyne-2,6-diol, 2-methyl-
CID 29098
4-Methylpent-2-yne-1,4-diol
CID 82766
3,5-Octadiyne-2,7-diol
CID 299571
2-Methyl-3-hexyne-2,5-diol
CID 12209874
4-Ethoxy-2-methylbut-3-yn-2-ol
CID 351721
Cyjyvcdboiuerw-uhfffaoysa-
CID 11344025
5-Methyl-3-heptyne-2,5-diol
CID 12209875
2-Methyl-3,5-octadiyne-2,7-diol
CID 12601007
3-Butyn-2-ol, 2-methyl-4-oxiranyl-
CID 13250120
4-Methoxy-2-methyl-3-butyn-2-ol
CID 13432144
6-Methoxy-3-hexyne-2-ol
CID 58121301
(s,s)-3,5-Ocatadiyn-2,7-diol
CID 92160893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yloxybut-3-yn-2-ol?
The IUPAC name of 2-methyl-4-propan-2-yloxybut-3-yn-2-ol (CID 15004643) is 2-methyl-4-propan-2-yloxybut-3-yn-2-ol.
What is the SMILES notation for 2-methyl-4-propan-2-yloxybut-3-yn-2-ol?
The canonical SMILES for 2-methyl-4-propan-2-yloxybut-3-yn-2-ol is CC(C)OC#CC(C)(C)O.
What is the InChIKey of 2-methyl-4-propan-2-yloxybut-3-yn-2-ol?
The InChIKey is BRGNWTUFJNJGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)10-6-5-8(3,4)9/h7,9H,1-4H3.
What are the key properties of 2-methyl-4-propan-2-yloxybut-3-yn-2-ol?
2-methyl-4-propan-2-yloxybut-3-yn-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yloxybut-3-yn-2-ol is sourced from PubChem (CID 15004643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).