1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C15H28 — CID 22091561

IUPAC1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CCCC2CC(C)C(CC)C12
InChIInChI=1S/C15H28/c1-4-7-12-8-6-9-13-10-11(3)14(5-2)15(12)13/h11-15H,4-10H2,1-3H3
InChIKeyHQCRJDJTKUNHLF-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds3

About 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 22091561) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID22091561
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CCCC2CC(C)C(CC)C12
InChIInChI=1S/C15H28/c1-4-7-12-8-6-9-13-10-11(3)14(5-2)15(12)13/h11-15H,4-10H2,1-3H3
InChIKeyHQCRJDJTKUNHLF-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

rel-(3aR,7aS)-Octahydro-1H-indene
CID 643587
Perhydrofluorene
CID 21972
Acenaphthylene, dodecahydro-
CID 102215
Hydrindane
CID 10325
trans-Hydrindane
CID 638055
Norbornane, 2-isobutyl-
CID 565405
1H-Indene, octahydro-1,1,2,3,3-pentamethyl-
CID 118537
Bicyclo(2.2.1)heptane, 2-ethyl-
CID 137449
2,3-Dimethylbicyclo(2.2.1)heptane
CID 140711
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 22091561) is 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCCC1CCCC2CC(C)C(CC)C12.
What is the InChIKey of 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is HQCRJDJTKUNHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-7-12-8-6-9-13-10-11(3)14(5-2)15(12)13/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 208.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 22091561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).