4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene

C18H26 — CID 614939

IUPAC4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene
SMILESCCc1c2c(c(CC)c3c1C(C)CC3)C(C)CC2
InChIInChI=1S/C18H26/c1-5-13-15-9-7-12(4)18(15)14(6-2)16-10-8-11(3)17(13)16/h11-12H,5-10H2,1-4H3
InChIKeyZDEXZDSWLXREAV-UHFFFAOYSA-N
MW242.41 g/mol
LogP4.91
Rot. Bonds2

About 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene

4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene (PubChem CID 614939) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene.

Molecular Properties

Compound Name4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene
PubChem CID614939
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene
SMILESCCc1c2c(c(CC)c3c1C(C)CC3)C(C)CC2
InChIInChI=1S/C18H26/c1-5-13-15-9-7-12(4)18(15)14(6-2)16-10-8-11(3)17(13)16/h11-12H,5-10H2,1-4H3
InChIKeyZDEXZDSWLXREAV-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 171537068
6-butyl-7-ethyl-1-methyl-2,3-dihydro-1H-inden-4-ol
CID 10728309
5-ethyl-1,6,7-trimethyl-2,3-dihydro-1H-indene
CID 170736432
4-ethyl-1-methyl-2,3-dihydro-1H-indene
CID 178109031
1-methyl-2-methylidenecyclobutane
CID 20800914
7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol
CID 163979066
4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene
CID 155578127
6-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
CID 146617893
(4R,12R)-4,8,12-trimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
CID 155023347
1-[(Z)-but-2-en-2-yl]-2-ethyl-3-methylcyclopentene
CID 178164613
1,3-dimethyl-2-propylcyclopentene
CID 143544281
2-ethyl-6-methyl-1,3-thiazinane
CID 66226254

Frequently Asked Questions

What is the IUPAC name of 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene?
The IUPAC name of 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene (CID 614939) is 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene.
What is the SMILES notation for 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene?
The canonical SMILES for 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene is CCc1c2c(c(CC)c3c1C(C)CC3)C(C)CC2.
What is the InChIKey of 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene?
The InChIKey is ZDEXZDSWLXREAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-5-13-15-9-7-12(4)18(15)14(6-2)16-10-8-11(3)17(13)16/h11-12H,5-10H2,1-4H3.
What are the key properties of 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene?
4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene has a molecular weight of 242.41 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethyl-1,5-dimethyl-1,2,3,5,6,7-hexahydro-s-indacene is sourced from PubChem (CID 614939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).