1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol

C9H14O2 — CID 15438099

IUPAC1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol
SMILESOC1([C@@]23CCC[C@@H]2O3)CCC1
InChIInChI=1S/C9H14O2/c10-8(4-2-5-8)9-6-1-3-7(9)11-9/h7,10H,1-6H2/t7-,9+/m0/s1
InChIKeyDHSGSAYNDXFBAX-IONNQARKSA-N
MW154.21 g/mol
LogP1.22
Rot. Bonds1

About 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol

1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol (PubChem CID 15438099) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol
PubChem CID15438099
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol
SMILESOC1([C@@]23CCC[C@@H]2O3)CCC1
InChIInChI=1S/C9H14O2/c10-8(4-2-5-8)9-6-1-3-7(9)11-9/h7,10H,1-6H2/t7-,9+/m0/s1
InChIKeyDHSGSAYNDXFBAX-IONNQARKSA-N
XLogP1.22
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol?
The IUPAC name of 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol (CID 15438099) is 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol is OC1([C@@]23CCC[C@@H]2O3)CCC1.
What is the InChIKey of 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol?
The InChIKey is DHSGSAYNDXFBAX-IONNQARKSA-N. The full InChI is InChI=1S/C9H14O2/c10-8(4-2-5-8)9-6-1-3-7(9)11-9/h7,10H,1-6H2/t7-,9+/m0/s1.
What are the key properties of 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol?
1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 15438099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).