1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene

C13H24 — CID 90723342

IUPAC1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene
SMILESCC1CCC(C)C2(C)C(C)CCC12
InChIInChI=1S/C13H24/c1-9-5-6-10(2)13(4)11(3)7-8-12(9)13/h9-12H,5-8H2,1-4H3
InChIKeyGAPFDXCKDQDOFE-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.10
Rot. Bonds

About 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene

1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene (PubChem CID 90723342) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene.

Molecular Properties

Compound Name1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene
PubChem CID90723342
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene
SMILESCC1CCC(C)C2(C)C(C)CCC12
InChIInChI=1S/C13H24/c1-9-5-6-10(2)13(4)11(3)7-8-12(9)13/h9-12H,5-8H2,1-4H3
InChIKeyGAPFDXCKDQDOFE-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1aS,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7,7b-octahydro-1aH-cyclopropa[e]azulen-7a-ol
CID 162899416
(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 135040130
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane
CID 123302088
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine
CID 87633849
3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
CID 139255459
2,2,3,6-tetramethylcyclohexane-1-carbaldehyde
CID 18791057
(8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane
CID 167165041

Frequently Asked Questions

What is the IUPAC name of 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene?
The IUPAC name of 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene (CID 90723342) is 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene.
What is the SMILES notation for 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene?
The canonical SMILES for 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene is CC1CCC(C)C2(C)C(C)CCC12.
What is the InChIKey of 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene?
The InChIKey is GAPFDXCKDQDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-9-5-6-10(2)13(4)11(3)7-8-12(9)13/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene?
1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene has a molecular weight of 180.34 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene is sourced from PubChem (CID 90723342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).