2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C17H30 — CID 173085788

IUPAC2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC1(C2CC3CCCCC3C2)CCCCC1
InChIInChI=1S/C17H30/c1-2-17(10-6-3-7-11-17)16-12-14-8-4-5-9-15(14)13-16/h14-16H,2-13H2,1H3
InChIKeyKLFASRHQVSWLFW-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.56
Rot. Bonds2

About 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 173085788) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID173085788
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC1(C2CC3CCCCC3C2)CCCCC1
InChIInChI=1S/C17H30/c1-2-17(10-6-3-7-11-17)16-12-14-8-4-5-9-15(14)13-16/h14-16H,2-13H2,1H3
InChIKeyKLFASRHQVSWLFW-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Perhydrofluorene
CID 21972
1H-Indene, 1-cyclohexyloctahydro-1,3,3-trimethyl-
CID 90758
1H-Indene, octahydro-1,1,2,3,3-pentamethyl-
CID 118537
1H-Indene, octahydro-2,2,4,4,7,7-hexamethyl-, trans-
CID 41207
1-Hexadecyloctahydro-1H-indene
CID 294708
6-Cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 23451420
Fukinane
CID 35756
1-Methyloctahydro-1h-indene
CID 236403
1-Ethyl-7a-methyloctahydro-1H-indene
CID 565493
7a-Methyl-octahydro-indene
CID 12701552
1,4-Methanonaphthalene, decahydro-6,9,9-trimethyl-
CID 106946
1H-Indene, 1-cyclohexyl-3-(2-cyclohexyl-2-methylpropyl)octahydro-1,3-dimethyl-
CID 112649

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 173085788) is 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCC1(C2CC3CCCCC3C2)CCCCC1.
What is the InChIKey of 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is KLFASRHQVSWLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-2-17(10-6-3-7-11-17)16-12-14-8-4-5-9-15(14)13-16/h14-16H,2-13H2,1H3.
What are the key properties of 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 234.43 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 173085788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).