2-methyl-5-prop-2-ynoxypent-3-yn-2-ol

C9H12O2 — CID 71370387

IUPAC2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
SMILESC#CCOCC#CC(C)(C)O
InChIInChI=1S/C9H12O2/c1-4-7-11-8-5-6-9(2,3)10/h1,10H,7-8H2,2-3H3
InChIKeyNGJREHMNEZXDOQ-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.41
Rot. Bonds2

About 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol

2-methyl-5-prop-2-ynoxypent-3-yn-2-ol (PubChem CID 71370387) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
PubChem CID71370387
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
SMILESC#CCOCC#CC(C)(C)O
InChIInChI=1S/C9H12O2/c1-4-7-11-8-5-6-9(2,3)10/h1,10H,7-8H2,2-3H3
InChIKeyNGJREHMNEZXDOQ-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.41
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-5-prop-2-ynoxypent-3-yn-2-ol?
The IUPAC name of 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol (CID 71370387) is 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol.
What is the SMILES notation for 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol?
The canonical SMILES for 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol is C#CCOCC#CC(C)(C)O.
What is the InChIKey of 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol?
The InChIKey is NGJREHMNEZXDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-7-11-8-5-6-9(2,3)10/h1,10H,7-8H2,2-3H3.
What are the key properties of 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol?
2-methyl-5-prop-2-ynoxypent-3-yn-2-ol has a molecular weight of 152.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-ynoxypent-3-yn-2-ol is sourced from PubChem (CID 71370387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).