6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

C14H20O2 — CID 150177860

IUPAC6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)(C)OC1=CC=C2C(=O)CCCC2C1
InChIInChI=1S/C14H20O2/c1-14(2,3)16-11-7-8-12-10(9-11)5-4-6-13(12)15/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFKUFCINILQVXDC-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.38
Rot. Bonds1

About 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (PubChem CID 150177860) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
PubChem CID150177860
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)(C)OC1=CC=C2C(=O)CCCC2C1
InChIInChI=1S/C14H20O2/c1-14(2,3)16-11-7-8-12-10(9-11)5-4-6-13(12)15/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFKUFCINILQVXDC-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (CID 150177860) is 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is CC(C)(C)OC1=CC=C2C(=O)CCCC2C1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The InChIKey is FKUFCINILQVXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,3)16-11-7-8-12-10(9-11)5-4-6-13(12)15/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 150177860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).