4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one

C16H22O2 — CID 39349304

IUPAC4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
SMILESCC(C)C(=O)CCOc1cccc2c1CCCC2
InChIInChI=1S/C16H22O2/c1-12(2)15(17)10-11-18-16-9-5-7-13-6-3-4-8-14(13)16/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3
InChIKeyMBMORUJOTCSMDC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.56
Rot. Bonds5

About 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one

4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one (PubChem CID 39349304) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
PubChem CID39349304
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
SMILESCC(C)C(=O)CCOc1cccc2c1CCCC2
InChIInChI=1S/C16H22O2/c1-12(2)15(17)10-11-18-16-9-5-7-13-6-3-4-8-14(13)16/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3
InChIKeyMBMORUJOTCSMDC-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one?
The IUPAC name of 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one (CID 39349304) is 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one?
The canonical SMILES for 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one is CC(C)C(=O)CCOc1cccc2c1CCCC2.
What is the InChIKey of 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one?
The InChIKey is MBMORUJOTCSMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)15(17)10-11-18-16-9-5-7-13-6-3-4-8-14(13)16/h5,7,9,12H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one?
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one has a molecular weight of 246.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one is sourced from PubChem (CID 39349304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).