1-oxaspiro[2.7]decane

C9H16O — CID 13240757

IUPAC1-oxaspiro[2.7]decane
SMILESC1CCCC2(CCC1)CO2
InChIInChI=1S/C9H16O/c1-2-4-6-9(8-10-9)7-5-3-1/h1-8H2
InChIKeyBGJYHEFBQRQPTM-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.50
Rot. Bonds

About 1-oxaspiro[2.7]decane

1-oxaspiro[2.7]decane (PubChem CID 13240757) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-oxaspiro[2.7]decane.

Molecular Properties

Compound Name1-oxaspiro[2.7]decane
PubChem CID13240757
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-oxaspiro[2.7]decane
SMILESC1CCCC2(CCC1)CO2
InChIInChI=1S/C9H16O/c1-2-4-6-9(8-10-9)7-5-3-1/h1-8H2
InChIKeyBGJYHEFBQRQPTM-UHFFFAOYSA-N
XLogP2.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[2.7]decane?
The IUPAC name of 1-oxaspiro[2.7]decane (CID 13240757) is 1-oxaspiro[2.7]decane.
What is the SMILES notation for 1-oxaspiro[2.7]decane?
The canonical SMILES for 1-oxaspiro[2.7]decane is C1CCCC2(CCC1)CO2.
What is the InChIKey of 1-oxaspiro[2.7]decane?
The InChIKey is BGJYHEFBQRQPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-4-6-9(8-10-9)7-5-3-1/h1-8H2.
What are the key properties of 1-oxaspiro[2.7]decane?
1-oxaspiro[2.7]decane has a molecular weight of 140.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[2.7]decane is sourced from PubChem (CID 13240757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).