2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene

C14H22O2 — CID 174902843

IUPAC2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)OO.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C4H10O2/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2,3)6-5/h1-2,5-6H,3-4,7-8H2;5H,1-3H3
InChIKeySXGMXXMLKOLHCJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.84
Rot. Bonds

About 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene

2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene (PubChem CID 174902843) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene
PubChem CID174902843
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)OO.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C4H10O2/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2,3)6-5/h1-2,5-6H,3-4,7-8H2;5H,1-3H3
InChIKeySXGMXXMLKOLHCJ-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466
1,2,3,4-tetrahydronaphthalene
CID 174531863
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CID 143018675
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
2,3-dihydro-1H-indene;hypobromous acid
CID 174544280
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene
CID 144945752
acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
CID 158377760

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene (CID 174902843) is 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene is CC(C)(C)OO.c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene?
The InChIKey is SXGMXXMLKOLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C4H10O2/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(2,3)6-5/h1-2,5-6H,3-4,7-8H2;5H,1-3H3.
What are the key properties of 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene?
2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene has a molecular weight of 222.33 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methylpropane;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 174902843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).