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

C11H20 — CID 14415240

IUPAC5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2CCCC2CC1C
InChIInChI=1S/C11H20/c1-8-6-10-4-3-5-11(10)7-9(8)2/h8-11H,3-7H2,1-2H3
InChIKeyPEFHUYJUIWCASP-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds

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

5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 14415240) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID14415240
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2CCCC2CC1C
InChIInChI=1S/C11H20/c1-8-6-10-4-3-5-11(10)7-9(8)2/h8-11H,3-7H2,1-2H3
InChIKeyPEFHUYJUIWCASP-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

rel-(3aR,7aS)-Octahydro-1H-indene
CID 643587
Hydrindane
CID 10325
trans-Hydrindane
CID 638055
1H-Indene, octahydro-1,1,2,3,3-pentamethyl-
CID 118537
5-Butyl-6-hexyloctahydro-1H-indene
CID 535091
(S,S)-hydrindane
CID 643588
1H-Indene, octahydro-2,2,4,4,7,7-hexamethyl-, trans-
CID 41207
1H-Indene, 2-butyl-5-hexyloctahydro-
CID 278087
4,7-Ethano-1H-indene, octahydro-
CID 142242
1H-Indene, octahydro-5-methyl-
CID 565932
1-Hexadecyloctahydro-1H-indene
CID 294708
2,6-Dimethylbicyclo[3.2.1]octane
CID 557178

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 14415240) is 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CC2CCCC2CC1C.
What is the InChIKey of 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is PEFHUYJUIWCASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8-6-10-4-3-5-11(10)7-9(8)2/h8-11H,3-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 152.28 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 14415240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).