hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane

C18H40O4 — CID 21312408

IUPAChydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)(C)CC(C)(C)OO.CC1CCC(C(C)C)CC1.OO
InChIInChI=1S/C10H20.C8H18O2.H2O2/c1-8(2)10-6-4-9(3)5-7-10;1-7(2,3)6-8(4,5)10-9;1-2/h8-10H,4-7H2,1-3H3;9H,6H2,1-5H3;1-2H
InChIKeyZSTWENQJYDODNO-UHFFFAOYSA-N
MW320.51 g/mol
LogP6.18
Rot. Bonds3

About hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane

hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane (PubChem CID 21312408) has the molecular formula C18H40O4 and a molecular weight of 320.51 g/mol. Its IUPAC name is hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Namehydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane
PubChem CID21312408
Molecular FormulaC18H40O4
Molecular Weight320.51 g/mol
Exact Mass320.29
IUPAC Namehydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)(C)CC(C)(C)OO.CC1CCC(C(C)C)CC1.OO
InChIInChI=1S/C10H20.C8H18O2.H2O2/c1-8(2)10-6-4-9(3)5-7-10;1-7(2,3)6-8(4,5)10-9;1-2/h8-10H,4-7H2,1-3H3;9H,6H2,1-5H3;1-2H
InChIKeyZSTWENQJYDODNO-UHFFFAOYSA-N
XLogP6.18
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.51
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroperoxy-2-methylpropane;1-(2-hydroperoxypropan-2-yl)-4-methylcyclohexane;2-hydroperoxy-2,4,4-trimethylpentane
CID 162196045
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 103019615
2,5-dihydroperoxy-2,5-dimethylhexane;2-hydroperoxy-4-methyl-1-propan-2-ylcyclohexane
CID 21312410
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane
CID 123616274
1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane
CID 20708983

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane (CID 21312408) is hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane is CC(C)(C)CC(C)(C)OO.CC1CCC(C(C)C)CC1.OO.
What is the InChIKey of hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is ZSTWENQJYDODNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H18O2.H2O2/c1-8(2)10-6-4-9(3)5-7-10;1-7(2,3)6-8(4,5)10-9;1-2/h8-10H,4-7H2,1-3H3;9H,6H2,1-5H3;1-2H.
What are the key properties of hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane?
hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 320.51 g/mol, XLogP of 6.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-hydroperoxy-2,4,4-trimethylpentane;1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 21312408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).