9-(1-methoxyethenyl)spiro[4.5]decan-10-one

C13H20O2 — CID 67991708

IUPAC9-(1-methoxyethenyl)spiro[4.5]decan-10-one
SMILESC=C(OC)C1CCCC2(CCCC2)C1=O
InChIInChI=1S/C13H20O2/c1-10(15-2)11-6-5-9-13(12(11)14)7-3-4-8-13/h11H,1,3-9H2,2H3
InChIKeyACLCDFAZTYNXQK-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds2

About 9-(1-methoxyethenyl)spiro[4.5]decan-10-one

9-(1-methoxyethenyl)spiro[4.5]decan-10-one (PubChem CID 67991708) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 9-(1-methoxyethenyl)spiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(1-methoxyethenyl)spiro[4.5]decan-10-one
PubChem CID67991708
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name9-(1-methoxyethenyl)spiro[4.5]decan-10-one
SMILESC=C(OC)C1CCCC2(CCCC2)C1=O
InChIInChI=1S/C13H20O2/c1-10(15-2)11-6-5-9-13(12(11)14)7-3-4-8-13/h11H,1,3-9H2,2H3
InChIKeyACLCDFAZTYNXQK-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methoxyethenyl)spiro[4.5]decan-10-one?
The IUPAC name of 9-(1-methoxyethenyl)spiro[4.5]decan-10-one (CID 67991708) is 9-(1-methoxyethenyl)spiro[4.5]decan-10-one.
What is the SMILES notation for 9-(1-methoxyethenyl)spiro[4.5]decan-10-one?
The canonical SMILES for 9-(1-methoxyethenyl)spiro[4.5]decan-10-one is C=C(OC)C1CCCC2(CCCC2)C1=O.
What is the InChIKey of 9-(1-methoxyethenyl)spiro[4.5]decan-10-one?
The InChIKey is ACLCDFAZTYNXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(15-2)11-6-5-9-13(12(11)14)7-3-4-8-13/h11H,1,3-9H2,2H3.
What are the key properties of 9-(1-methoxyethenyl)spiro[4.5]decan-10-one?
9-(1-methoxyethenyl)spiro[4.5]decan-10-one has a molecular weight of 208.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methoxyethenyl)spiro[4.5]decan-10-one is sourced from PubChem (CID 67991708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).