(4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one

C11H14O — CID 14143533

IUPAC(4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESC[C@]12CCC=CC1=CC(=O)CC2
InChIInChI=1S/C11H14O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h2,4,8H,3,5-7H2,1H3/t11-/m1/s1
InChIKeyNBMYMYDUONUXAL-LLVKDONJSA-N
MW162.23 g/mol
LogP2.63
Rot. Bonds

About (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one

(4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one (PubChem CID 14143533) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name(4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
PubChem CID14143533
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
SMILESC[C@]12CCC=CC1=CC(=O)CC2
InChIInChI=1S/C11H14O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h2,4,8H,3,5-7H2,1H3/t11-/m1/s1
InChIKeyNBMYMYDUONUXAL-LLVKDONJSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The IUPAC name of (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one (CID 14143533) is (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one.
What is the SMILES notation for (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The canonical SMILES for (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one is C[C@]12CCC=CC1=CC(=O)CC2.
What is the InChIKey of (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
The InChIKey is NBMYMYDUONUXAL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h2,4,8H,3,5-7H2,1H3/t11-/m1/s1.
What are the key properties of (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one?
(4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one has a molecular weight of 162.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one is sourced from PubChem (CID 14143533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).