(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene

C12H24O2 — CID 142862016

IUPAC(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene
SMILESCCCC(C)C/C=C(\C)C[C@@H](C)OO
InChIInChI=1S/C12H24O2/c1-5-6-10(2)7-8-11(3)9-12(4)14-13/h8,10,12-13H,5-7,9H2,1-4H3/b11-8+/t10?,12-/m1/s1
InChIKeyUOFAVKFWSGPFGE-XWJHTDAVSA-N
MW200.32 g/mol
LogP4.03
Rot. Bonds7

About (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene

(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene (PubChem CID 142862016) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene.

Molecular Properties

Compound Name(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene
PubChem CID142862016
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene
SMILESCCCC(C)C/C=C(\C)C[C@@H](C)OO
InChIInChI=1S/C12H24O2/c1-5-6-10(2)7-8-11(3)9-12(4)14-13/h8,10,12-13H,5-7,9H2,1-4H3/b11-8+/t10?,12-/m1/s1
InChIKeyUOFAVKFWSGPFGE-XWJHTDAVSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.03
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'}

Analyze (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene?
The IUPAC name of (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene (CID 142862016) is (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene.
What is the SMILES notation for (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene?
The canonical SMILES for (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene is CCCC(C)C/C=C(\C)C[C@@H](C)OO.
What is the InChIKey of (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene?
The InChIKey is UOFAVKFWSGPFGE-XWJHTDAVSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-6-10(2)7-8-11(3)9-12(4)14-13/h8,10,12-13H,5-7,9H2,1-4H3/b11-8+/t10?,12-/m1/s1.
What are the key properties of (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene?
(E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene has a molecular weight of 200.32 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-hydroperoxy-4,7-dimethyldec-4-ene is sourced from PubChem (CID 142862016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).