1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C15H28 — CID 145198680

IUPAC1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC(C)C1CC2CC(C)C(C)C2CC1C
InChIInChI=1S/C15H28/c1-9(2)14-8-13-6-10(3)12(5)15(13)7-11(14)4/h9-15H,6-8H2,1-5H3
InChIKeyBCPMUHGYGIABHY-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.60
Rot. Bonds1

About 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 145198680) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID145198680
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC(C)C1CC2CC(C)C(C)C2CC1C
InChIInChI=1S/C15H28/c1-9(2)14-8-13-6-10(3)12(5)15(13)7-11(14)4/h9-15H,6-8H2,1-5H3
InChIKeyBCPMUHGYGIABHY-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

4-(2-fluorocyclopentyl)-1-methyl-2-propan-2-ylcyclopentane
CID 170059975
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane
CID 163855339
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658128
2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane
CID 130985864
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 145198680) is 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC(C)C1CC2CC(C)C(C)C2CC1C.
What is the InChIKey of 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is BCPMUHGYGIABHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-9(2)14-8-13-6-10(3)12(5)15(13)7-11(14)4/h9-15H,6-8H2,1-5H3.
What are the key properties of 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 208.39 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 145198680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).