(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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Related Compounds

(1R,12R)-13-oxabicyclo[10.2.0]tetradecan-14-one
CID 101342521
(1S,15R)-16-oxabicyclo[13.2.0]heptadecan-17-one
CID 28765601
(1R,2S,5R,6S)-10-oxatricyclo[4.3.2.12,5]dodecan-11-one
CID 10352283
8-amino-6-oxabicyclo[3.2.1]octan-7-one
CID 72998660
3-methylidene-3a,4,5,6,7,8,9,10,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one
CID 14543194
(3S,3aS,8aS)-3-amino-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[b]furan-2-one
CID 57462564
(4S,7R,11R)-6-oxa-1-azatricyclo[5.3.1.04,11]undecan-5-one
CID 131858810
(3R,3aS,9aR)-3-chloro-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
CID 13466804
(8S)-8-phenyl-6-oxabicyclo[3.2.1]octan-7-one
CID 57255921
(1S,9E,15R)-18-methylidene-16-oxabicyclo[13.3.0]octadec-9-en-17-one
CID 177410981
(3S,3aR,7aS)-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 92860709
(1S,2S,6R,7R)-8-oxatricyclo[5.2.2.02,6]undecan-9-one
CID 101453700

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).