(3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one

C15H24O2 — CID 15071433

IUPAC(3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
SMILESC=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@@H](C(C)C)C(=O)O2
InChIInChI=1S/C15H24O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12-,13-,15+/m0/s1
InChIKeyJBUPYYZICGGNGI-PWNZVWSESA-N
MW236.35 g/mol
LogP3.57
Rot. Bonds2

About (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one

(3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one (PubChem CID 15071433) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
PubChem CID15071433
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
SMILESC=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@@H](C(C)C)C(=O)O2
InChIInChI=1S/C15H24O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12-,13-,15+/m0/s1
InChIKeyJBUPYYZICGGNGI-PWNZVWSESA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-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 (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one (CID 15071433) is (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one is C=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@@H](C(C)C)C(=O)O2.
What is the InChIKey of (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is JBUPYYZICGGNGI-PWNZVWSESA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3/t11-,12-,13-,15+/m0/s1.
What are the key properties of (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one?
(3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 15071433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).