6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene

C12H22 — CID 23383570

IUPAC6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
SMILESCC(C)C1(C)CCC2CCCC21
InChIInChI=1S/C12H22/c1-9(2)12(3)8-7-10-5-4-6-11(10)12/h9-11H,4-8H2,1-3H3
InChIKeyCFXAEKDYKXDJLU-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene

6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene (PubChem CID 23383570) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene.

Molecular Properties

Compound Name6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
PubChem CID23383570
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
SMILESCC(C)C1(C)CCC2CCCC21
InChIInChI=1S/C12H22/c1-9(2)12(3)8-7-10-5-4-6-11(10)12/h9-11H,4-8H2,1-3H3
InChIKeyCFXAEKDYKXDJLU-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-cyclopentyl-4-methyl-4-propan-2-ylpiperidine
CID 112570765
6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 140839402
1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol
CID 90293907
(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 162269378
spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]
CID 59741943
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
6,6,9a-trimethyl-2,3,3a,4,5,5a,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalene
CID 140589212
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
6-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylmethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 19102295
2-(1-cyclohexylethyl)-2-methyl-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene
CID 91217519
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The IUPAC name of 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene (CID 23383570) is 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene.
What is the SMILES notation for 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The canonical SMILES for 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene is CC(C)C1(C)CCC2CCCC21.
What is the InChIKey of 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The InChIKey is CFXAEKDYKXDJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9(2)12(3)8-7-10-5-4-6-11(10)12/h9-11H,4-8H2,1-3H3.
What are the key properties of 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene has a molecular weight of 166.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene is sourced from PubChem (CID 23383570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).