(5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one

C11H14O3 — CID 101175873

IUPAC(5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=C[C@@]2(C=CC1=O)CCC(C)O2
InChIInChI=1S/C11H14O3/c1-8-3-5-11(14-8)6-4-9(12)10(7-11)13-2/h4,6-8H,3,5H2,1-2H3/t8?,11-/m0/s1
InChIKeyJWAGABKNHPTVNC-LYNSQETBSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds1

About (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one

(5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 101175873) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name(5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID101175873
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=C[C@@]2(C=CC1=O)CCC(C)O2
InChIInChI=1S/C11H14O3/c1-8-3-5-11(14-8)6-4-9(12)10(7-11)13-2/h4,6-8H,3,5H2,1-2H3/t8?,11-/m0/s1
InChIKeyJWAGABKNHPTVNC-LYNSQETBSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one (CID 101175873) is (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one is COC1=C[C@@]2(C=CC1=O)CCC(C)O2.
What is the InChIKey of (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is JWAGABKNHPTVNC-LYNSQETBSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-3-5-11(14-8)6-4-9(12)10(7-11)13-2/h4,6-8H,3,5H2,1-2H3/t8?,11-/m0/s1.
What are the key properties of (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
(5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 101175873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).