1-but-3-enylperoxy-1-methylperoxycycloundecane

C16H30O4 — CID 154714640

IUPAC1-but-3-enylperoxy-1-methylperoxycycloundecane
SMILESC=CCCOOC1(OOC)CCCCCCCCCC1
InChIInChI=1S/C16H30O4/c1-3-4-15-18-20-16(19-17-2)13-11-9-7-5-6-8-10-12-14-16/h3H,1,4-15H2,2H3
InChIKeyQBCLEWGOTBTJCF-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.70
Rot. Bonds7

About 1-but-3-enylperoxy-1-methylperoxycycloundecane

1-but-3-enylperoxy-1-methylperoxycycloundecane (PubChem CID 154714640) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-but-3-enylperoxy-1-methylperoxycycloundecane.

Molecular Properties

Compound Name1-but-3-enylperoxy-1-methylperoxycycloundecane
PubChem CID154714640
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name1-but-3-enylperoxy-1-methylperoxycycloundecane
SMILESC=CCCOOC1(OOC)CCCCCCCCCC1
InChIInChI=1S/C16H30O4/c1-3-4-15-18-20-16(19-17-2)13-11-9-7-5-6-8-10-12-14-16/h3H,1,4-15H2,2H3
InChIKeyQBCLEWGOTBTJCF-UHFFFAOYSA-N
XLogP4.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

3-(1-methylperoxycyclododecyl)peroxypropanoic acid
CID 11834121
1-hydroperoxy-1-methylperoxycyclododecane
CID 11118348
1,1-bis(prop-2-enoxy)cyclohexane
CID 10867252
1-(4-hydroperoxybutylperoxy)-1-(3-methylbut-3-enylperoxy)cyclododecane
CID 15548020
1-[4-(2-methoxypropan-2-ylperoxy)butylperoxy]-1-(3-methylbut-3-enylperoxy)cyclododecane
CID 15548018
1-(2-but-3-enoxypropanoylamino)cycloheptane-1-carboxylic acid
CID 120538661
1-(1-methoxycycloheptyl)hex-5-en-1-ol
CID 116756031
1,1-dimethylcyclohexane;pent-1-ene;propane
CID 143331368
1,1-dibutoxycyclooctane
CID 18791994
1,1-bis(hept-3-enoxy)cyclohexane
CID 69187054
1-(1-methoxycyclopentyl)hex-5-en-1-ol
CID 104610355
1,1-dipropoxycyclodecane
CID 89439642

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enylperoxy-1-methylperoxycycloundecane?
The IUPAC name of 1-but-3-enylperoxy-1-methylperoxycycloundecane (CID 154714640) is 1-but-3-enylperoxy-1-methylperoxycycloundecane.
What is the SMILES notation for 1-but-3-enylperoxy-1-methylperoxycycloundecane?
The canonical SMILES for 1-but-3-enylperoxy-1-methylperoxycycloundecane is C=CCCOOC1(OOC)CCCCCCCCCC1.
What is the InChIKey of 1-but-3-enylperoxy-1-methylperoxycycloundecane?
The InChIKey is QBCLEWGOTBTJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-3-4-15-18-20-16(19-17-2)13-11-9-7-5-6-8-10-12-14-16/h3H,1,4-15H2,2H3.
What are the key properties of 1-but-3-enylperoxy-1-methylperoxycycloundecane?
1-but-3-enylperoxy-1-methylperoxycycloundecane has a molecular weight of 286.41 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enylperoxy-1-methylperoxycycloundecane is sourced from PubChem (CID 154714640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).