1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene

C16H28 — CID 22973488

IUPAC1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
SMILESCCC1CC(CC)C2C3CCCCC3CC12
InChIInChI=1S/C16H28/c1-3-11-9-12(4-2)16-14-8-6-5-7-13(14)10-15(11)16/h11-16H,3-10H2,1-2H3
InChIKeyXISKBNPAFDWLDO-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.89
Rot. Bonds2

About 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene

1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene (PubChem CID 22973488) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene.

Molecular Properties

Compound Name1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
PubChem CID22973488
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
SMILESCCC1CC(CC)C2C3CCCCC3CC12
InChIInChI=1S/C16H28/c1-3-11-9-12(4-2)16-14-8-6-5-7-13(14)10-15(11)16/h11-16H,3-10H2,1-2H3
InChIKeyXISKBNPAFDWLDO-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene?
The IUPAC name of 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene (CID 22973488) is 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene.
What is the SMILES notation for 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene?
The canonical SMILES for 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene is CCC1CC(CC)C2C3CCCCC3CC12.
What is the InChIKey of 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene?
The InChIKey is XISKBNPAFDWLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-3-11-9-12(4-2)16-14-8-6-5-7-13(14)10-15(11)16/h11-16H,3-10H2,1-2H3.
What are the key properties of 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene?
1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene has a molecular weight of 220.40 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene is sourced from PubChem (CID 22973488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).