acetic acid;1-hydroperoxy-10-methylundecane

C14H30O4 — CID 175978430

IUPACacetic acid;1-hydroperoxy-10-methylundecane
SMILESCC(=O)O.CC(C)CCCCCCCCCOO
InChIInChI=1S/C12H26O2.C2H4O2/c1-12(2)10-8-6-4-3-5-7-9-11-14-13;1-2(3)4/h12-13H,3-11H2,1-2H3;1H3,(H,3,4)
InChIKeyMEUZYASMUPEHDD-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.34
Rot. Bonds10

About acetic acid;1-hydroperoxy-10-methylundecane

acetic acid;1-hydroperoxy-10-methylundecane (PubChem CID 175978430) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is acetic acid;1-hydroperoxy-10-methylundecane.

Molecular Properties

Compound Nameacetic acid;1-hydroperoxy-10-methylundecane
PubChem CID175978430
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Nameacetic acid;1-hydroperoxy-10-methylundecane
SMILESCC(=O)O.CC(C)CCCCCCCCCOO
InChIInChI=1S/C12H26O2.C2H4O2/c1-12(2)10-8-6-4-3-5-7-9-11-14-13;1-2(3)4/h12-13H,3-11H2,1-2H3;1H3,(H,3,4)
InChIKeyMEUZYASMUPEHDD-UHFFFAOYSA-N
XLogP4.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze acetic acid;1-hydroperoxy-10-methylundecane with MolForge

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

Launch Full Analysis

Related Compounds

1-hydroperoxy-6-methylheptane
CID 87470675
6-methylheptyl acetate
CID 175958030
bis(8-methylnonyl) carbonate
CID 23302119
bis(14-methylpentadecyl) oxalate
CID 88541014
1-(10-methylundecoxy)propan-2-one
CID 171604608
(Z)-4-(12-methyltridecoxy)-4-oxobut-2-enoic acid
CID 156869837
(Z)-4-(9-methyldecoxy)-4-oxobut-2-enoic acid
CID 156869843
14-methylpentadecyl carbamate
CID 175375850
16-methylheptadecyl carbamate
CID 175072884
3-(8-methylnonoxy)propanoic acid
CID 21270829
bis(6-methylheptyl) 2,3-dihydroxybutanedioate
CID 87505003
16-methylheptadecyl (2S)-2-aminopropanoate
CID 138561160

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-hydroperoxy-10-methylundecane?
The IUPAC name of acetic acid;1-hydroperoxy-10-methylundecane (CID 175978430) is acetic acid;1-hydroperoxy-10-methylundecane.
What is the SMILES notation for acetic acid;1-hydroperoxy-10-methylundecane?
The canonical SMILES for acetic acid;1-hydroperoxy-10-methylundecane is CC(=O)O.CC(C)CCCCCCCCCOO.
What is the InChIKey of acetic acid;1-hydroperoxy-10-methylundecane?
The InChIKey is MEUZYASMUPEHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2.C2H4O2/c1-12(2)10-8-6-4-3-5-7-9-11-14-13;1-2(3)4/h12-13H,3-11H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-hydroperoxy-10-methylundecane?
acetic acid;1-hydroperoxy-10-methylundecane has a molecular weight of 262.39 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-hydroperoxy-10-methylundecane is sourced from PubChem (CID 175978430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).