(6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one

C13H20O — CID 131857457

IUPAC(6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one
SMILESCC[C@H]1CC=C[C@@H](C)C12CCCC2=O
InChIInChI=1S/C13H20O/c1-3-11-7-4-6-10(2)13(11)9-5-8-12(13)14/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11+,13?/m1/s1
InChIKeyVGKTWDYMGFEXOB-ILWADHIDSA-N
MW192.30 g/mol
LogP3.35
Rot. Bonds1

About (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one

(6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one (PubChem CID 131857457) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one.

Molecular Properties

Compound Name(6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one
PubChem CID131857457
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one
SMILESCC[C@H]1CC=C[C@@H](C)C12CCCC2=O
InChIInChI=1S/C13H20O/c1-3-11-7-4-6-10(2)13(11)9-5-8-12(13)14/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11+,13?/m1/s1
InChIKeyVGKTWDYMGFEXOB-ILWADHIDSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one?
The IUPAC name of (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one (CID 131857457) is (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one.
What is the SMILES notation for (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one?
The canonical SMILES for (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one is CC[C@H]1CC=C[C@@H](C)C12CCCC2=O.
What is the InChIKey of (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one?
The InChIKey is VGKTWDYMGFEXOB-ILWADHIDSA-N. The full InChI is InChI=1S/C13H20O/c1-3-11-7-4-6-10(2)13(11)9-5-8-12(13)14/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11+,13?/m1/s1.
What are the key properties of (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one?
(6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one has a molecular weight of 192.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10S)-10-ethyl-6-methylspiro[4.5]dec-7-en-4-one is sourced from PubChem (CID 131857457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).