1-oxaspiro[4.5]deca-6,8-diene

C9H12O — CID 101238617

IUPAC1-oxaspiro[4.5]deca-6,8-diene
SMILESC1=CCC2(C=C1)CCCO2
InChIInChI=1S/C9H12O/c1-2-5-9(6-3-1)7-4-8-10-9/h1-3,5H,4,6-8H2
InChIKeySXCXQQGEOCLYPS-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.05
Rot. Bonds

About 1-oxaspiro[4.5]deca-6,8-diene

1-oxaspiro[4.5]deca-6,8-diene (PubChem CID 101238617) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-oxaspiro[4.5]deca-6,8-diene.

Molecular Properties

Compound Name1-oxaspiro[4.5]deca-6,8-diene
PubChem CID101238617
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name1-oxaspiro[4.5]deca-6,8-diene
SMILESC1=CCC2(C=C1)CCCO2
InChIInChI=1S/C9H12O/c1-2-5-9(6-3-1)7-4-8-10-9/h1-3,5H,4,6-8H2
InChIKeySXCXQQGEOCLYPS-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]deca-6,8-diene?
The IUPAC name of 1-oxaspiro[4.5]deca-6,8-diene (CID 101238617) is 1-oxaspiro[4.5]deca-6,8-diene.
What is the SMILES notation for 1-oxaspiro[4.5]deca-6,8-diene?
The canonical SMILES for 1-oxaspiro[4.5]deca-6,8-diene is C1=CCC2(C=C1)CCCO2.
What is the InChIKey of 1-oxaspiro[4.5]deca-6,8-diene?
The InChIKey is SXCXQQGEOCLYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-5-9(6-3-1)7-4-8-10-9/h1-3,5H,4,6-8H2.
What are the key properties of 1-oxaspiro[4.5]deca-6,8-diene?
1-oxaspiro[4.5]deca-6,8-diene has a molecular weight of 136.19 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]deca-6,8-diene is sourced from PubChem (CID 101238617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).