(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol

C6H12O3 — CID 135040544

IUPAC(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol
SMILESC=C(C)C(OO)[C@@H](C)O
InChIInChI=1S/C6H12O3/c1-4(2)6(9-8)5(3)7/h5-8H,1H2,2-3H3/t5-,6?/m1/s1
InChIKeyXFXUOLOFWHNLKJ-LWOQYNTDSA-N
MW132.16 g/mol
LogP0.80
Rot. Bonds3

About (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol

(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol (PubChem CID 135040544) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol
PubChem CID135040544
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol
SMILESC=C(C)C(OO)[C@@H](C)O
InChIInChI=1S/C6H12O3/c1-4(2)6(9-8)5(3)7/h5-8H,1H2,2-3H3/t5-,6?/m1/s1
InChIKeyXFXUOLOFWHNLKJ-LWOQYNTDSA-N
XLogP0.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3-hydroperoxy-2-methylhept-1-en-4-ol
CID 101416470
(3S,4S)-4-hydroperoxy-2,2,5-trimethylhex-5-ene-1,3-diol
CID 102388386
1-prop-1-en-2-yloxypropan-2-ol
CID 15051326
5-hydroperoxy-6-methylhept-6-en-2-ol
CID 58114812
2,5-dihydroperoxy-3,4-dimethyl-6-prop-1-en-2-yloxyheptanoic acid
CID 21133607
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
4-hydroxy-3-methoxy-2-methylidenepentanoic acid
CID 88919690
2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene
CID 123989375
4-hydroperoxy-3-methylpentan-2-ol
CID 140902034
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
(3R,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979803

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol?
The IUPAC name of (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol (CID 135040544) is (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol.
What is the SMILES notation for (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol?
The canonical SMILES for (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol is C=C(C)C(OO)[C@@H](C)O.
What is the InChIKey of (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol?
The InChIKey is XFXUOLOFWHNLKJ-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H12O3/c1-4(2)6(9-8)5(3)7/h5-8H,1H2,2-3H3/t5-,6?/m1/s1.
What are the key properties of (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol?
(2R)-3-hydroperoxy-4-methylpent-4-en-2-ol has a molecular weight of 132.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroperoxy-4-methylpent-4-en-2-ol is sourced from PubChem (CID 135040544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).