2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one

C12H18O — CID 154595410

IUPAC2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
SMILESO=C1C2CCCCC2C2CCCC12
InChIInChI=1S/C12H18O/c13-12-10-5-2-1-4-8(10)9-6-3-7-11(9)12/h8-11H,1-7H2
InChIKeyUGICJIQHRGZPOX-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.79
Rot. Bonds

About 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one

2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one (PubChem CID 154595410) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one.

Molecular Properties

Compound Name2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
PubChem CID154595410
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
SMILESO=C1C2CCCCC2C2CCCC12
InChIInChI=1S/C12H18O/c13-12-10-5-2-1-4-8(10)9-6-3-7-11(9)12/h8-11H,1-7H2
InChIKeyUGICJIQHRGZPOX-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one?
The IUPAC name of 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one (CID 154595410) is 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one.
What is the SMILES notation for 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one?
The canonical SMILES for 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one is O=C1C2CCCCC2C2CCCC12.
What is the InChIKey of 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one?
The InChIKey is UGICJIQHRGZPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-12-10-5-2-1-4-8(10)9-6-3-7-11(9)12/h8-11H,1-7H2.
What are the key properties of 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one?
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one has a molecular weight of 178.27 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one is sourced from PubChem (CID 154595410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).