1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C13H24 — CID 123875044

IUPAC1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC(C)C2C(C1)CC(C)C2C
InChIInChI=1S/C13H24/c1-8-5-10(3)13-11(4)9(2)7-12(13)6-8/h8-13H,5-7H2,1-4H3
InChIKeyVYBICSOBPJVEED-UHFFFAOYSA-N
MW180.33 g/mol
LogP3.96
Rot. Bonds

About 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 123875044) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID123875044
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC(C)C2C(C1)CC(C)C2C
InChIInChI=1S/C13H24/c1-8-5-10(3)13-11(4)9(2)7-12(13)6-8/h8-13H,5-7H2,1-4H3
InChIKeyVYBICSOBPJVEED-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
CID 123629229
methane;1,2,4-trimethylcyclopentane
CID 157268000
3,4,9,9-tetramethyltricyclo[6.1.1.02,6]decane
CID 123688869
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);molecular hydrogen;1,2,3-trimethyl-5-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160608283
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)
CID 157279018
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane
CID 15751895
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772

Frequently Asked Questions

What is the IUPAC name of 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 123875044) is 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CC(C)C2C(C1)CC(C)C2C.
What is the InChIKey of 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is VYBICSOBPJVEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-8-5-10(3)13-11(4)9(2)7-12(13)6-8/h8-13H,5-7H2,1-4H3.
What are the key properties of 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 180.33 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 123875044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).