(4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

C13H18O2 — CID 10878313

IUPAC(4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCOC1=C[C@@]2(C)CCC[C@@H](C)C2=CC1=O
InChIInChI=1S/C13H18O2/c1-9-5-4-6-13(2)8-12(15-3)11(14)7-10(9)13/h7-9H,4-6H2,1-3H3/t9-,13-/m1/s1
InChIKeyMPLMRKOGXBEAKO-NOZJJQNGSA-N
MW206.28 g/mol
LogP2.85
Rot. Bonds1

About (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

(4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 10878313) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name(4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID10878313
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCOC1=C[C@@]2(C)CCC[C@@H](C)C2=CC1=O
InChIInChI=1S/C13H18O2/c1-9-5-4-6-13(2)8-12(15-3)11(14)7-10(9)13/h7-9H,4-6H2,1-3H3/t9-,13-/m1/s1
InChIKeyMPLMRKOGXBEAKO-NOZJJQNGSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one (CID 10878313) is (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one is COC1=C[C@@]2(C)CCC[C@@H](C)C2=CC1=O.
What is the InChIKey of (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is MPLMRKOGXBEAKO-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-5-4-6-13(2)8-12(15-3)11(14)7-10(9)13/h7-9H,4-6H2,1-3H3/t9-,13-/m1/s1.
What are the key properties of (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
(4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 10878313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).