4-hydroperoxy-2-methylhex-2-ene

C7H14O2 — CID 12949724

IUPAC4-hydroperoxy-2-methylhex-2-ene
SMILESCCC(C=C(C)C)OO
InChIInChI=1S/C7H14O2/c1-4-7(9-8)5-6(2)3/h5,7-8H,4H2,1-3H3
InChIKeyUEJBHUOUBWWKSU-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.22
Rot. Bonds3

About 4-hydroperoxy-2-methylhex-2-ene

4-hydroperoxy-2-methylhex-2-ene (PubChem CID 12949724) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-hydroperoxy-2-methylhex-2-ene.

Molecular Properties

Compound Name4-hydroperoxy-2-methylhex-2-ene
PubChem CID12949724
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4-hydroperoxy-2-methylhex-2-ene
SMILESCCC(C=C(C)C)OO
InChIInChI=1S/C7H14O2/c1-4-7(9-8)5-6(2)3/h5,7-8H,4H2,1-3H3
InChIKeyUEJBHUOUBWWKSU-UHFFFAOYSA-N
XLogP2.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-3-hydroperoxy-5-methyloct-4-ene
CID 15041468
2,6-dihydroperoxyoct-4-ene
CID 159836227
(4R)-2,4-dimethylhex-2-ene
CID 142611901
(E)-5-methoxy-3-methylhept-3-ene
CID 59875254
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
ethyl (E,4R)-4-hydroperoxyhex-2-enoate
CID 101260352
N-ethyl-5-methylhex-4-en-3-amine
CID 79190287
butan-2-one;2-hydroperoxybutane
CID 162156312
3-(3-methylbut-2-enoxy)pent-1-ene
CID 175435022
5-methoxy-N,2-dimethylhept-2-en-4-amine
CID 116715522
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
(E)-5-methoxy-3-methylhept-3-enal
CID 87291849

Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxy-2-methylhex-2-ene?
The IUPAC name of 4-hydroperoxy-2-methylhex-2-ene (CID 12949724) is 4-hydroperoxy-2-methylhex-2-ene.
What is the SMILES notation for 4-hydroperoxy-2-methylhex-2-ene?
The canonical SMILES for 4-hydroperoxy-2-methylhex-2-ene is CCC(C=C(C)C)OO.
What is the InChIKey of 4-hydroperoxy-2-methylhex-2-ene?
The InChIKey is UEJBHUOUBWWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(9-8)5-6(2)3/h5,7-8H,4H2,1-3H3.
What are the key properties of 4-hydroperoxy-2-methylhex-2-ene?
4-hydroperoxy-2-methylhex-2-ene has a molecular weight of 130.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-2-methylhex-2-ene is sourced from PubChem (CID 12949724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).