2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C17H32 — CID 91278744

IUPAC2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC1CC2CC(C(C)C)CC(C(C)C)C2C1
InChIInChI=1S/C17H32/c1-6-13-7-15-9-14(11(2)3)10-16(12(4)5)17(15)8-13/h11-17H,6-10H2,1-5H3
InChIKeyKSFNEKDNPNSRPN-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.38
Rot. Bonds3

About 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 91278744) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID91278744
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC1CC2CC(C(C)C)CC(C(C)C)C2C1
InChIInChI=1S/C17H32/c1-6-13-7-15-9-14(11(2)3)10-16(12(4)5)17(15)8-13/h11-17H,6-10H2,1-5H3
InChIKeyKSFNEKDNPNSRPN-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Launch Full Analysis

Related Compounds

5-Butyl-6-hexyloctahydro-1H-indene
CID 535091
1H-Indene, octahydro-2,2,4,4,7,7-hexamethyl-, trans-
CID 41207
1H-Indene, 2-butyl-5-hexyloctahydro-
CID 278087
1H-Indene, octahydro-5-methyl-
CID 565932
1-Hexadecyloctahydro-1H-indene
CID 294708
Fukinane
CID 35756
Acenaphthylene, dodecahydro-5-pentadecyl-
CID 279539
1-Methyloctahydro-1h-indene
CID 236403
As-Indacene, dodecahydro-4-(1-octylnonyl)-
CID 296574
4-Methyl-4,5-secocholestane
CID 126568
4,5-Secocholestane
CID 193688
(3S,3aS,5aS,9aS,9bS)-Dodecahydro-3a,6,6,9a-tetramethyl-3-((5R)-1,5,9-trimethyldecyl)-1H-benz(e)indene
CID 166177199

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 91278744) is 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCC1CC2CC(C(C)C)CC(C(C)C)C2C1.
What is the InChIKey of 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is KSFNEKDNPNSRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-6-13-7-15-9-14(11(2)3)10-16(12(4)5)17(15)8-13/h11-17H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 236.44 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 91278744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).