6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one

C14H20O2 — CID 176893165

IUPAC6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one
SMILESCOC1=C(C)C=C2C(=O)C(C)(C)CCC2C1
InChIInChI=1S/C14H20O2/c1-9-7-11-10(8-12(9)16-4)5-6-14(2,3)13(11)15/h7,10H,5-6,8H2,1-4H3
InChIKeyVGQYECPCGRHHEW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds1

About 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one

6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one (PubChem CID 176893165) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one
PubChem CID176893165
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one
SMILESCOC1=C(C)C=C2C(=O)C(C)(C)CCC2C1
InChIInChI=1S/C14H20O2/c1-9-7-11-10(8-12(9)16-4)5-6-14(2,3)13(11)15/h7,10H,5-6,8H2,1-4H3
InChIKeyVGQYECPCGRHHEW-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7,7-Trimethyl-7,8-dihydro-6H-chromene-4,5-dione
CID 788398
4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092
6-(difluoromethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 118609110
6-methoxy-2-(2,2,2-trifluoroethyl)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 176914894
Pregnapentaen-3-ol-20-one methyl ether
CID 129801160
9-(4-methoxycyclohexa-1,3-dien-1-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 1103590
6-Methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
CID 11298498
7-methoxy-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
CID 13905843
Cyclohexen-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
CID 17785148
5-methoxy-3,4,6,7,8,8a,9,9a-octahydro-2H-anthracen-1-one
CID 53766796
3,4-Dimethoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10-tetraen-7-one
CID 54157758

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one?
The IUPAC name of 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one (CID 176893165) is 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one.
What is the SMILES notation for 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one?
The canonical SMILES for 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one is COC1=C(C)C=C2C(=O)C(C)(C)CCC2C1.
What is the InChIKey of 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one?
The InChIKey is VGQYECPCGRHHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-7-11-10(8-12(9)16-4)5-6-14(2,3)13(11)15/h7,10H,5-6,8H2,1-4H3.
What are the key properties of 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one?
6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,7-trimethyl-3,4,4a,5-tetrahydronaphthalen-1-one is sourced from PubChem (CID 176893165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).