7-methyl-1-naphthalen-2-ylnonane-1,8-dione

C20H24O2 — CID 59908425

IUPAC7-methyl-1-naphthalen-2-ylnonane-1,8-dione
SMILESCC(=O)C(C)CCCCCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H24O2/c1-15(16(2)21)8-4-3-5-11-20(22)19-13-12-17-9-6-7-10-18(17)14-19/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3
InChIKeyCKTHQWWZEJZSJQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.20
Rot. Bonds8

About 7-methyl-1-naphthalen-2-ylnonane-1,8-dione

7-methyl-1-naphthalen-2-ylnonane-1,8-dione (PubChem CID 59908425) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 7-methyl-1-naphthalen-2-ylnonane-1,8-dione.

Molecular Properties

Compound Name7-methyl-1-naphthalen-2-ylnonane-1,8-dione
PubChem CID59908425
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name7-methyl-1-naphthalen-2-ylnonane-1,8-dione
SMILESCC(=O)C(C)CCCCCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H24O2/c1-15(16(2)21)8-4-3-5-11-20(22)19-13-12-17-9-6-7-10-18(17)14-19/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3
InChIKeyCKTHQWWZEJZSJQ-UHFFFAOYSA-N
XLogP5.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-1-naphthalen-2-ylheptan-1-one
CID 142086733
8-hydroxy-1-naphthalen-2-yloctan-1-one
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CID 593323
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
18-methyl-1-phenylnonadecan-1-one
CID 141198244
2-methyl-7-oxo-7-phenylheptanamide
CID 141075090
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621
1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
CID 70926564
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
8-[[(2E,4E)-4-aminohexa-2,4-dien-3-yl]amino]-1-naphthalen-2-yloctan-1-one;ethane
CID 142086759

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-naphthalen-2-ylnonane-1,8-dione?
The IUPAC name of 7-methyl-1-naphthalen-2-ylnonane-1,8-dione (CID 59908425) is 7-methyl-1-naphthalen-2-ylnonane-1,8-dione.
What is the SMILES notation for 7-methyl-1-naphthalen-2-ylnonane-1,8-dione?
The canonical SMILES for 7-methyl-1-naphthalen-2-ylnonane-1,8-dione is CC(=O)C(C)CCCCCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 7-methyl-1-naphthalen-2-ylnonane-1,8-dione?
The InChIKey is CKTHQWWZEJZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-15(16(2)21)8-4-3-5-11-20(22)19-13-12-17-9-6-7-10-18(17)14-19/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3.
What are the key properties of 7-methyl-1-naphthalen-2-ylnonane-1,8-dione?
7-methyl-1-naphthalen-2-ylnonane-1,8-dione has a molecular weight of 296.41 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-naphthalen-2-ylnonane-1,8-dione is sourced from PubChem (CID 59908425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).