2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C11H20O2 — CID 172615307

IUPAC2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CCC(OO)CC2C1
InChIInChI=1S/C11H20O2/c1-8-2-3-9-4-5-11(13-12)7-10(9)6-8/h8-12H,2-7H2,1H3
InChIKeyJVMGJLSPWQQICD-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds1

About 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 172615307) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID172615307
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC1CCC2CCC(OO)CC2C1
InChIInChI=1S/C11H20O2/c1-8-2-3-9-4-5-11(13-12)7-10(9)6-8/h8-12H,2-7H2,1H3
InChIKeyJVMGJLSPWQQICD-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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

(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
2-ethoxy-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58719019
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
[4-(3-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulen-7-yl)cyclohexyl]methanol
CID 134271074
1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane
CID 20708983
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
(3aS,7aR)-5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 167189775
2-hydroperoxy-1,4-dimethylcyclohexane
CID 118983567
4-(3-methylcyclopentyl)piperidine
CID 91329388
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 172615307) is 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC1CCC2CCC(OO)CC2C1.
What is the InChIKey of 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is JVMGJLSPWQQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-2-3-9-4-5-11(13-12)7-10(9)6-8/h8-12H,2-7H2,1H3.
What are the key properties of 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 184.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 172615307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).