2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane

C19H26O — CID 54226559

IUPAC2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane
SMILESCC.CC.CC1=CC2C(=O)c3cc(C)ccc3C2C=C1
InChIInChI=1S/C15H14O.2C2H6/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;2*1-2/h3-8,11,13H,1-2H3;2*1-2H3
InChIKeyQGGLMCKYHMHOKP-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.46
Rot. Bonds

About 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane

2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane (PubChem CID 54226559) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane.

Molecular Properties

Compound Name2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane
PubChem CID54226559
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane
SMILESCC.CC.CC1=CC2C(=O)c3cc(C)ccc3C2C=C1
InChIInChI=1S/C15H14O.2C2H6/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;2*1-2/h3-8,11,13H,1-2H3;2*1-2H3
InChIKeyQGGLMCKYHMHOKP-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-difluoro-2,7-dimethyl-4a,9a-dihydrofluorene
CID 71218819
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(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one
CID 59083233
1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene
CID 143848256
2-amino-6-methyl-2,3-dihydroinden-1-one
CID 24973373
6-methyl-3-triethylsilyl-2,3-dihydroinden-1-one
CID 86041325
(3S)-3,6-dimethyl-3H-inden-1-ol
CID 130220220
2,7-dimethyl-4a,9-dihydrophenanthrene
CID 140786855
N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82158256
2-bromo-4a,9a-dihydroanthracene-9,10-dione
CID 58831227
3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 142240358
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CID 166474739

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane?
The IUPAC name of 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane (CID 54226559) is 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane.
What is the SMILES notation for 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane?
The canonical SMILES for 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane is CC.CC.CC1=CC2C(=O)c3cc(C)ccc3C2C=C1.
What is the InChIKey of 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane?
The InChIKey is QGGLMCKYHMHOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.2C2H6/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;2*1-2/h3-8,11,13H,1-2H3;2*1-2H3.
What are the key properties of 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane?
2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane has a molecular weight of 270.42 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane is sourced from PubChem (CID 54226559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).