4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one

C14H18O — CID 126712648

IUPAC4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one
SMILESCC1CCCC2=C1C1=C(CCCC1)C2=O
InChIInChI=1S/C14H18O/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14(12)15/h9H,2-8H2,1H3
InChIKeyVYWWRPVLLUEIIC-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.56
Rot. Bonds

About 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one

4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one (PubChem CID 126712648) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one.

Molecular Properties

Compound Name4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one
PubChem CID126712648
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one
SMILESCC1CCCC2=C1C1=C(CCCC1)C2=O
InChIInChI=1S/C14H18O/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14(12)15/h9H,2-8H2,1H3
InChIKeyVYWWRPVLLUEIIC-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one?
The IUPAC name of 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one (CID 126712648) is 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one.
What is the SMILES notation for 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one?
The canonical SMILES for 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one is CC1CCCC2=C1C1=C(CCCC1)C2=O.
What is the InChIKey of 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one?
The InChIKey is VYWWRPVLLUEIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14(12)15/h9H,2-8H2,1H3.
What are the key properties of 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one?
4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one has a molecular weight of 202.30 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4,5,6,7,8-octahydrofluoren-9-one is sourced from PubChem (CID 126712648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).