(E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol

C10H20O4 — CID 10845862

IUPAC(E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol
SMILESCOC(C)(C)OOC(C)(C)/C=C/CO
InChIInChI=1S/C10H20O4/c1-9(2,7-6-8-11)13-14-10(3,4)12-5/h6-7,11H,8H2,1-5H3/b7-6+
InChIKeyVNJQUSRUJMQBMZ-VOTSOKGWSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds6

About (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol

(E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol (PubChem CID 10845862) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol
PubChem CID10845862
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol
SMILESCOC(C)(C)OOC(C)(C)/C=C/CO
InChIInChI=1S/C10H20O4/c1-9(2,7-6-8-11)13-14-10(3,4)12-5/h6-7,11H,8H2,1-5H3/b7-6+
InChIKeyVNJQUSRUJMQBMZ-VOTSOKGWSA-N
XLogP1.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol?
The IUPAC name of (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol (CID 10845862) is (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol?
The canonical SMILES for (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol is COC(C)(C)OOC(C)(C)/C=C/CO.
What is the InChIKey of (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol?
The InChIKey is VNJQUSRUJMQBMZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2,7-6-8-11)13-14-10(3,4)12-5/h6-7,11H,8H2,1-5H3/b7-6+.
What are the key properties of (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol?
(E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol is sourced from PubChem (CID 10845862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).