(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one

C9H14O2 — CID 101405571

IUPAC(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one
SMILESO=C1O[C@H]2CCCCCC[C@H]12
InChIInChI=1S/C9H14O2/c10-9-7-5-3-1-2-4-6-8(7)11-9/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKeyLPYWUOKFXMGVJU-YUMQZZPRSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds

About (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one

(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one (PubChem CID 101405571) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one.

Molecular Properties

Compound Name(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one
PubChem CID101405571
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one
SMILESO=C1O[C@H]2CCCCCC[C@H]12
InChIInChI=1S/C9H14O2/c10-9-7-5-3-1-2-4-6-8(7)11-9/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKeyLPYWUOKFXMGVJU-YUMQZZPRSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one?
The IUPAC name of (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one (CID 101405571) is (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one.
What is the SMILES notation for (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one?
The canonical SMILES for (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one is O=C1O[C@H]2CCCCCC[C@H]12.
What is the InChIKey of (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one?
The InChIKey is LPYWUOKFXMGVJU-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14O2/c10-9-7-5-3-1-2-4-6-8(7)11-9/h7-8H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one?
(1S,8S)-9-oxabicyclo[6.2.0]decan-10-one has a molecular weight of 154.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-9-oxabicyclo[6.2.0]decan-10-one is sourced from PubChem (CID 101405571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).