2,7-bis(tert-butylperoxy)-2,7-dimethyloctane

C18H38O4 — CID 19866769

IUPAC2,7-bis(tert-butylperoxy)-2,7-dimethyloctane
SMILESCC(C)(C)OOC(C)(C)CCCCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C18H38O4/c1-15(2,3)19-21-17(7,8)13-11-12-14-18(9,10)22-20-16(4,5)6/h11-14H2,1-10H3
InChIKeyGZDSMDYFJVYTTC-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.60
Rot. Bonds9

About 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane

2,7-bis(tert-butylperoxy)-2,7-dimethyloctane (PubChem CID 19866769) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane.

Molecular Properties

Compound Name2,7-bis(tert-butylperoxy)-2,7-dimethyloctane
PubChem CID19866769
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name2,7-bis(tert-butylperoxy)-2,7-dimethyloctane
SMILESCC(C)(C)OOC(C)(C)CCCCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C18H38O4/c1-15(2,3)19-21-17(7,8)13-11-12-14-18(9,10)22-20-16(4,5)6/h11-14H2,1-10H3
InChIKeyGZDSMDYFJVYTTC-UHFFFAOYSA-N
XLogP5.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-tert-butylperoxy-2-methylheptane
CID 21475586
2-tert-butylperoxy-2,5-dimethyl-5-methylperoxyhexane
CID 58986388
2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane
CID 175733054
2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane
CID 141108710
2-tert-butylperoxy-2-methylpropan-1-ol
CID 14069529
2,5-bis(tert-butylperoxy)-2,5,7-trimethyloctane
CID 175767272
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
CID 10910592
2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
(5-tert-butylperoxy-2,5-dimethylhexan-2-yl) 2,2-dimethylpropaneperoxoate
CID 102394219
4-methyl-4-(2-methylheptan-2-ylperoxy)pentan-2-ol
CID 87824096
sodium;2-tert-butylperoxy-2-methylpropane;hydride
CID 175059637
2-methoxyperoxy-2-methylnonane
CID 90108222

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane?
The IUPAC name of 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane (CID 19866769) is 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane.
What is the SMILES notation for 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane?
The canonical SMILES for 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane is CC(C)(C)OOC(C)(C)CCCCC(C)(C)OOC(C)(C)C.
What is the InChIKey of 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane?
The InChIKey is GZDSMDYFJVYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4/c1-15(2,3)19-21-17(7,8)13-11-12-14-18(9,10)22-20-16(4,5)6/h11-14H2,1-10H3.
What are the key properties of 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane?
2,7-bis(tert-butylperoxy)-2,7-dimethyloctane has a molecular weight of 318.50 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(tert-butylperoxy)-2,7-dimethyloctane is sourced from PubChem (CID 19866769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).