1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane

C15H32 — CID 143787282

IUPAC1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
SMILESC.CCC.CCC1CCC2CCCCC12
InChIInChI=1S/C11H20.C3H8.CH4/c1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;/h9-11H,2-8H2,1H3;3H2,1-2H3;1H4
InChIKeyYAUZHGNQQQNKCI-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds1

About 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane

1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane (PubChem CID 143787282) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane.

Molecular Properties

Compound Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
PubChem CID143787282
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
SMILESC.CCC.CCC1CCC2CCCCC12
InChIInChI=1S/C11H20.C3H8.CH4/c1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;/h9-11H,2-8H2,1H3;3H2,1-2H3;1H4
InChIKeyYAUZHGNQQQNKCI-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;zirconium(4+)
CID 23230200
2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
CID 165003699
4-(2-ethylcyclohexyl)piperidine
CID 106779195
[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol
CID 130831326
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1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 164599276
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
2-butyl-1-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane?
The IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane (CID 143787282) is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane.
What is the SMILES notation for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane?
The canonical SMILES for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane is C.CCC.CCC1CCC2CCCCC12.
What is the InChIKey of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane?
The InChIKey is YAUZHGNQQQNKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C3H8.CH4/c1-2-9-7-8-10-5-3-4-6-11(9)10;1-3-2;/h9-11H,2-8H2,1H3;3H2,1-2H3;1H4.
What are the key properties of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane?
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane is sourced from PubChem (CID 143787282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).