1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one

C17H30O2 — CID 103024464

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30O2/c1-17(2,19-3)11-10-16(18)15-9-8-13-6-4-5-7-14(13)12-15/h13-15H,4-12H2,1-3H3
InChIKeyHKTWTGSYTRRTFE-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.37
Rot. Bonds5

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one (PubChem CID 103024464) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one
PubChem CID103024464
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one
SMILESCOC(C)(C)CCC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30O2/c1-17(2,19-3)11-10-16(18)15-9-8-13-6-4-5-7-14(13)12-15/h13-15H,4-12H2,1-3H3
InChIKeyHKTWTGSYTRRTFE-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one with MolForge

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Related Compounds

4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-one
CID 103035343
4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one
CID 103035308
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-1-one
CID 114962133
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978305
1-(1,1-dioxothiolan-3-yl)-4-methoxy-4-methylpentan-1-one
CID 103024539
[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-oxoethyl]-bis(3-methoxy-3-oxopropyl)sulfanium
CID 58841727
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-3-en-1-one
CID 115780574
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclohexyl)methanone
CID 114962205
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120531853
1-cycloheptyl-3-methoxy-3-methylbutan-1-one
CID 103023457
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
CID 114975947
1-cycloheptyl-4,4-dimethylpentan-1-one
CID 65399769

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one (CID 103024464) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one is COC(C)(C)CCC(=O)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one?
The InChIKey is HKTWTGSYTRRTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-17(2,19-3)11-10-16(18)15-9-8-13-6-4-5-7-14(13)12-15/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one has a molecular weight of 266.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one is sourced from PubChem (CID 103024464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).