ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one

C18H30O — CID 145183093

IUPACethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one
SMILESCC.CC.CCc1ccc2c(c1)CC(C)(C)CC2=O
InChIInChI=1S/C14H18O.2C2H6/c1-4-10-5-6-12-11(7-10)8-14(2,3)9-13(12)15;2*1-2/h5-7H,4,8-9H2,1-3H3;2*1-2H3
InChIKeyDNVRCCFEBQAIFD-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.46
Rot. Bonds1

About ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one

ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one (PubChem CID 145183093) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Nameethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one
PubChem CID145183093
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Nameethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one
SMILESCC.CC.CCc1ccc2c(c1)CC(C)(C)CC2=O
InChIInChI=1S/C14H18O.2C2H6/c1-4-10-5-6-12-11(7-10)8-14(2,3)9-13(12)15;2*1-2/h5-7H,4,8-9H2,1-3H3;2*1-2H3
InChIKeyDNVRCCFEBQAIFD-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 138749776
6-chloro-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 84621207
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
CID 132519091
6-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22117289
3,3-dimethyl-2,4-dihydrotetracene-1,6,11-trione
CID 13130307
2-bromo-6-ethyl-2-methyl-3H-inden-1-one
CID 174917020
1-(3-ethylphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 63465689
3-amino-4-(7-ethyl-4-oxo-1,3-dihydroisoquinolin-2-yl)cyclobut-3-ene-1,2-dione
CID 88577231
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
2,6-diethylanthracene-9,10-dione
CID 130464580
2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one
CID 71066975
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one?
The IUPAC name of ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one (CID 145183093) is ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one.
What is the SMILES notation for ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one?
The canonical SMILES for ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one is CC.CC.CCc1ccc2c(c1)CC(C)(C)CC2=O.
What is the InChIKey of ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one?
The InChIKey is DNVRCCFEBQAIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.2C2H6/c1-4-10-5-6-12-11(7-10)8-14(2,3)9-13(12)15;2*1-2/h5-7H,4,8-9H2,1-3H3;2*1-2H3.
What are the key properties of ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one?
ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one has a molecular weight of 262.44 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3,3-dimethyl-2,4-dihydronaphthalen-1-one is sourced from PubChem (CID 145183093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).