(E)-1-hydroperoxypent-1-ene

C5H10O2 — CID 18764483

IUPAC(E)-1-hydroperoxypent-1-ene
SMILESCCC/C=C/OO
InChIInChI=1S/C5H10O2/c1-2-3-4-5-7-6/h4-6H,2-3H2,1H3/b5-4+
InChIKeyIVFREKHPKGKULI-SNAWJCMRSA-N
MW102.13 g/mol
LogP1.79
Rot. Bonds3

About (E)-1-hydroperoxypent-1-ene

(E)-1-hydroperoxypent-1-ene (PubChem CID 18764483) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (E)-1-hydroperoxypent-1-ene.

Molecular Properties

Compound Name(E)-1-hydroperoxypent-1-ene
PubChem CID18764483
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(E)-1-hydroperoxypent-1-ene
SMILESCCC/C=C/OO
InChIInChI=1S/C5H10O2/c1-2-3-4-5-7-6/h4-6H,2-3H2,1H3/b5-4+
InChIKeyIVFREKHPKGKULI-SNAWJCMRSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

z-Pentenol
CID 10011839
Pent-1-en-1-ol
CID 53438915
Perfluoro propylvinyl ether
CID 129760437
Pent-4-en-1-yl hydroperoxide
CID 11007832
4-Hydroperoxybut-1-ene
CID 14295435
Amylalkoholen
CID 18947924
Hexene hydroperoxide
CID 23047015
3-Dioxepane
CID 87674683
1-Methylperoxybut-1-ene
CID 60036995
Isoprene hydroperoxide
CID 129690314
Trioxacyclooctene
CID 134158592
1-Propylperoxybut-1-ene
CID 178416820

Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroperoxypent-1-ene?
The IUPAC name of (E)-1-hydroperoxypent-1-ene (CID 18764483) is (E)-1-hydroperoxypent-1-ene.
What is the SMILES notation for (E)-1-hydroperoxypent-1-ene?
The canonical SMILES for (E)-1-hydroperoxypent-1-ene is CCC/C=C/OO.
What is the InChIKey of (E)-1-hydroperoxypent-1-ene?
The InChIKey is IVFREKHPKGKULI-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H10O2/c1-2-3-4-5-7-6/h4-6H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-1-hydroperoxypent-1-ene?
(E)-1-hydroperoxypent-1-ene has a molecular weight of 102.13 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroperoxypent-1-ene is sourced from PubChem (CID 18764483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).