(1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene

C6H10O2 — CID 146537584

IUPAC(1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene
SMILESC/C=C\C(C)=C/OO
InChIInChI=1S/C6H10O2/c1-3-4-6(2)5-8-7/h3-5,7H,1-2H3/b4-3-,6-5-
InChIKeyPRGHFUHDAQXNTE-OUPQRBNQSA-N
MW114.14 g/mol
LogP1.96
Rot. Bonds2

About (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene

(1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene (PubChem CID 146537584) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene
PubChem CID146537584
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene
SMILESC/C=C\C(C)=C/OO
InChIInChI=1S/C6H10O2/c1-3-4-6(2)5-8-7/h3-5,7H,1-2H3/b4-3-,6-5-
InChIKeyPRGHFUHDAQXNTE-OUPQRBNQSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.96
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene?
The IUPAC name of (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene (CID 146537584) is (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene?
The canonical SMILES for (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene is C/C=C\C(C)=C/OO.
What is the InChIKey of (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene?
The InChIKey is PRGHFUHDAQXNTE-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-6(2)5-8-7/h3-5,7H,1-2H3/b4-3-,6-5-.
What are the key properties of (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene?
(1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene has a molecular weight of 114.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene is sourced from PubChem (CID 146537584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).