7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one

C14H20O3 — CID 10585904

IUPAC7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCCC1CCC2=C(C1)C(OC)(OC)C(=O)C=C2
InChIInChI=1S/C14H20O3/c1-4-10-5-6-11-7-8-13(15)14(16-2,17-3)12(11)9-10/h7-8,10H,4-6,9H2,1-3H3
InChIKeyUXZJPOTYWMFLQR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.62
Rot. Bonds3

About 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one

7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 10585904) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID10585904
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCCC1CCC2=C(C1)C(OC)(OC)C(=O)C=C2
InChIInChI=1S/C14H20O3/c1-4-10-5-6-11-7-8-13(15)14(16-2,17-3)12(11)9-10/h7-8,10H,4-6,9H2,1-3H3
InChIKeyUXZJPOTYWMFLQR-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R,9S,15R)-9-methoxy-10-oxatricyclo[7.5.1.05,15]pentadeca-2,4,7-trien-6-one
CID 135027320
4,4-Dimethoxy-6-pentyl-cyclohex-2-enone
CID 593724
methyl 4-methyl-5-oxo-4,6,7,8-tetrahydro-3H-naphthalene-2-carboxylate
CID 70301925
2,2-Dimethoxy-3,4,4a,5-tetrahydronaphthalen-1-one
CID 140994731
1,1-Dimethoxy-3,4,4a,5-tetrahydronaphthalen-2-one
CID 141011268
1-(2-Hydroxy-5,5-dimethoxy-1,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 154152416
Methyl 3,4-dimethyl-3,4,5,6,7,8-hexahydronaphthalene-1-carboxylate;molecular hydrogen
CID 154666844
5-methoxy-6-oxo-5,8a-dihydro-1H-naphthalene-2-carbaldehyde
CID 173411265
1,1-Dimethoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 11521420
1,1-Dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one
CID 11557530
4,4-dimethoxy-2,3-dihydro-1H-inden-5-one
CID 11571950
1,1-Dimethoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 11694259

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one (CID 10585904) is 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one is CCC1CCC2=C(C1)C(OC)(OC)C(=O)C=C2.
What is the InChIKey of 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is UXZJPOTYWMFLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-10-5-6-11-7-8-13(15)14(16-2,17-3)12(11)9-10/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one?
7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 10585904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).