2,5,6,7,8,9-hexahydrofluoren-1-one

C13H14O — CID 141319272

IUPAC2,5,6,7,8,9-hexahydrofluoren-1-one
SMILESO=C1CC=CC2=C1CC1=C2CCCC1
InChIInChI=1S/C13H14O/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h3,6H,1-2,4-5,7-8H2
InChIKeyLCGGTLFNCGMJHN-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.09
Rot. Bonds

About 2,5,6,7,8,9-hexahydrofluoren-1-one

2,5,6,7,8,9-hexahydrofluoren-1-one (PubChem CID 141319272) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,5,6,7,8,9-hexahydrofluoren-1-one.

Molecular Properties

Compound Name2,5,6,7,8,9-hexahydrofluoren-1-one
PubChem CID141319272
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2,5,6,7,8,9-hexahydrofluoren-1-one
SMILESO=C1CC=CC2=C1CC1=C2CCCC1
InChIInChI=1S/C13H14O/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h3,6H,1-2,4-5,7-8H2
InChIKeyLCGGTLFNCGMJHN-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 167452139
3,4,5,6-tetrahydro-2H-naphthalen-1-one
CID 14045253
manganese;2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 174386744
3,4-dihydrocyclopenta[a]naphthalen-5-one
CID 22341653
(2Z)-2-cyclohex-2-en-1-ylidenecyclohexan-1-one
CID 70608062
(3E)-cyclododec-3-ene-1,2-dione
CID 14605760
1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-one
CID 11031398
3,4,5,6,7,8-hexahydronaphthalene-1,2-dione
CID 22709046
6,7,8,9-tetrahydro-4H-azuleno[6,7-c]furan-5-one
CID 10655212
12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one
CID 143013799
14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one
CID 67259243

Frequently Asked Questions

What is the IUPAC name of 2,5,6,7,8,9-hexahydrofluoren-1-one?
The IUPAC name of 2,5,6,7,8,9-hexahydrofluoren-1-one (CID 141319272) is 2,5,6,7,8,9-hexahydrofluoren-1-one.
What is the SMILES notation for 2,5,6,7,8,9-hexahydrofluoren-1-one?
The canonical SMILES for 2,5,6,7,8,9-hexahydrofluoren-1-one is O=C1CC=CC2=C1CC1=C2CCCC1.
What is the InChIKey of 2,5,6,7,8,9-hexahydrofluoren-1-one?
The InChIKey is LCGGTLFNCGMJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h3,6H,1-2,4-5,7-8H2.
What are the key properties of 2,5,6,7,8,9-hexahydrofluoren-1-one?
2,5,6,7,8,9-hexahydrofluoren-1-one has a molecular weight of 186.25 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7,8,9-hexahydrofluoren-1-one is sourced from PubChem (CID 141319272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).