5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol

C9H16O3 — CID 40543849

IUPAC5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol
SMILESC[C@@H](O)COCC#CC(C)(C)O
InChIInChI=1S/C9H16O3/c1-8(10)7-12-6-4-5-9(2,3)11/h8,10-11H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyZFRCVNMGQGOBJI-MRVPVSSYSA-N
MW172.22 g/mol
LogP0.16
Rot. Bonds3

About 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol

5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol (PubChem CID 40543849) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol.

Molecular Properties

Compound Name5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol
PubChem CID40543849
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol
SMILESC[C@@H](O)COCC#CC(C)(C)O
InChIInChI=1S/C9H16O3/c1-8(10)7-12-6-4-5-9(2,3)11/h8,10-11H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyZFRCVNMGQGOBJI-MRVPVSSYSA-N
XLogP0.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-2-hydroxypropoxy]but-2-yn-1-ol
CID 51418891
2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
CID 71370387
2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol
CID 4670630
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
2-methyl-5-(3-methylpent-1-yn-3-yloxy)pent-3-yn-2-ol
CID 12813395
1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol
CID 123505262
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
4-methylheptane-2,4,6-triol
CID 90439710
2-methylpentane-2,4-diol
CID 7870
2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
CID 21493299
ethoxyethane;2-methylpentane-2,4-diol
CID 19391902
2-methylhept-3-yn-2-ol
CID 566135

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol?
The IUPAC name of 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol (CID 40543849) is 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol.
What is the SMILES notation for 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol?
The canonical SMILES for 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol is C[C@@H](O)COCC#CC(C)(C)O.
What is the InChIKey of 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol?
The InChIKey is ZFRCVNMGQGOBJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(10)7-12-6-4-5-9(2,3)11/h8,10-11H,6-7H2,1-3H3/t8-/m1/s1.
What are the key properties of 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol?
5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol has a molecular weight of 172.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-hydroxypropoxy]-2-methylpent-3-yn-2-ol is sourced from PubChem (CID 40543849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).