4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one

C13H18O2 — CID 85440177

IUPAC4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one
SMILESO=C1C=COC2C1CCC1CCCCC12
InChIInChI=1S/C13H18O2/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13/h7-11,13H,1-6H2
InChIKeyMAHUBZQFZIVLMS-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.68
Rot. Bonds

About 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one

4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one (PubChem CID 85440177) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one.

Molecular Properties

Compound Name4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one
PubChem CID85440177
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one
SMILESO=C1C=COC2C1CCC1CCCCC12
InChIInChI=1S/C13H18O2/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13/h7-11,13H,1-6H2
InChIKeyMAHUBZQFZIVLMS-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one?
The IUPAC name of 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one (CID 85440177) is 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one.
What is the SMILES notation for 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one?
The canonical SMILES for 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one is O=C1C=COC2C1CCC1CCCCC12.
What is the InChIKey of 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one?
The InChIKey is MAHUBZQFZIVLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13/h7-11,13H,1-6H2.
What are the key properties of 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one?
4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one has a molecular weight of 206.28 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-one is sourced from PubChem (CID 85440177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).