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

C17H34 — CID 91264687

IUPACethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC.CCCC1CCCC2CC(C)C(CC)C12
InChIInChI=1S/C15H28.C2H6/c1-4-7-12-8-6-9-13-10-11(3)14(5-2)15(12)13;1-2/h11-15H,4-10H2,1-3H3;1-2H3
InChIKeyRYLXFIWECYHHGW-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.91
Rot. Bonds3

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

ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 91264687) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Nameethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID91264687
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC.CCCC1CCCC2CC(C)C(CC)C12
InChIInChI=1S/C15H28.C2H6/c1-4-7-12-8-6-9-13-10-11(3)14(5-2)15(12)13;1-2/h11-15H,4-10H2,1-3H3;1-2H3
InChIKeyRYLXFIWECYHHGW-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
4-(2,4-diethylcyclohexyl)-5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552225
2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane
CID 161039599
ethane;1-methyl-2-propylcyclopropane
CID 144710386
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,4-dimethyl-2-propylcyclohexane
CID 157261713
1,3-diethyl-4-methyl-2-propylcyclopentane
CID 143310394
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143769708
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
(4aR,8aS)-3-ethyl-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162292694

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 91264687) is ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC.CCCC1CCCC2CC(C)C(CC)C12.
What is the InChIKey of ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is RYLXFIWECYHHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.C2H6/c1-4-7-12-8-6-9-13-10-11(3)14(5-2)15(12)13;1-2/h11-15H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 238.46 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 91264687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).