6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane

C10H17O+ — CID 14593320

IUPAC6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane
SMILESC[C+](C)C1OCC2C1C2(C)C
InChIInChI=1S/C10H17O/c1-6(2)9-8-7(5-11-9)10(8,3)4/h7-9H,5H2,1-4H3/q+1
InChIKeyFOGLRDMHRWBFQC-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.27
Rot. Bonds1

About 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane

6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane (PubChem CID 14593320) has the molecular formula C10H17O+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane
PubChem CID14593320
Molecular FormulaC10H17O+
Molecular Weight153.25 g/mol
Exact Mass153.13
IUPAC Name6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane
SMILESC[C+](C)C1OCC2C1C2(C)C
InChIInChI=1S/C10H17O/c1-6(2)9-8-7(5-11-9)10(8,3)4/h7-9H,5H2,1-4H3/q+1
InChIKeyFOGLRDMHRWBFQC-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane (CID 14593320) is 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane is C[C+](C)C1OCC2C1C2(C)C.
What is the InChIKey of 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is FOGLRDMHRWBFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O/c1-6(2)9-8-7(5-11-9)10(8,3)4/h7-9H,5H2,1-4H3/q+1.
What are the key properties of 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane?
6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane has a molecular weight of 153.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-propan-2-yl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 14593320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).