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

C14H26 — CID 143342565

IUPAC1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CCC2C(CC)CCC2C1
InChIInChI=1S/C14H26/c1-3-5-11-6-9-14-12(4-2)7-8-13(14)10-11/h11-14H,3-10H2,1-2H3
InChIKeyWWGVNZLUDZNVRR-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds3

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

1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 143342565) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID143342565
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CCC2C(CC)CCC2C1
InChIInChI=1S/C14H26/c1-3-5-11-6-9-14-12(4-2)7-8-13(14)10-11/h11-14H,3-10H2,1-2H3
InChIKeyWWGVNZLUDZNVRR-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-propylbicyclo[4.2.0]octane
CID 145186098
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
(2R,7R)-2,7-dibutyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54101502
2,7-dipentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 13412906
1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147264
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
2-[3-ethyl-4-[3-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147238
2-ethyl-5-propylcyclohexan-1-ol
CID 58534322
1-cyclobutyl-2-ethylcyclobutane
CID 123211451
(4aR,4bR,8aR)-2-(4-methylphenyl)-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 21032637

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 143342565) is 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCCC1CCC2C(CC)CCC2C1.
What is the InChIKey of 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is WWGVNZLUDZNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-5-11-6-9-14-12(4-2)7-8-13(14)10-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 194.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 143342565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).