(5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one

C14H20O3 — CID 135041114

IUPAC(5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCOC1=CC(=O)O[C@@]12C[C@H](C)CCC2=C(C)C
InChIInChI=1S/C14H20O3/c1-9(2)11-6-5-10(3)8-14(11)12(16-4)7-13(15)17-14/h7,10H,5-6,8H2,1-4H3/t10-,14-/m1/s1
InChIKeyHQJQONSHSIQBMJ-QMTHXVAHSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds1

About (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one

(5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 135041114) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID135041114
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCOC1=CC(=O)O[C@@]12C[C@H](C)CCC2=C(C)C
InChIInChI=1S/C14H20O3/c1-9(2)11-6-5-10(3)8-14(11)12(16-4)7-13(15)17-14/h7,10H,5-6,8H2,1-4H3/t10-,14-/m1/s1
InChIKeyHQJQONSHSIQBMJ-QMTHXVAHSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one (CID 135041114) is (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one is COC1=CC(=O)O[C@@]12C[C@H](C)CCC2=C(C)C.
What is the InChIKey of (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is HQJQONSHSIQBMJ-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H20O3/c1-9(2)11-6-5-10(3)8-14(11)12(16-4)7-13(15)17-14/h7,10H,5-6,8H2,1-4H3/t10-,14-/m1/s1.
What are the key properties of (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one?
(5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-4-methoxy-9-methyl-6-propan-2-ylidene-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 135041114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).