6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one

C10H16O2 — CID 12783971

IUPAC6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC(C)C1OC(=O)C2C1C2(C)C
InChIInChI=1S/C10H16O2/c1-5(2)8-6-7(9(11)12-8)10(6,3)4/h5-8H,1-4H3
InChIKeyYEMJEOPTERWSCG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.84
Rot. Bonds1

About 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one

6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 12783971) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID12783971
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC(C)C1OC(=O)C2C1C2(C)C
InChIInChI=1S/C10H16O2/c1-5(2)8-6-7(9(11)12-8)10(6,3)4/h5-8H,1-4H3
InChIKeyYEMJEOPTERWSCG-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Salinilactone A
CID 139591553
Salinilactone E
CID 156582708
Salinilactone G
CID 156582710
Salinilactone H
CID 156582711
Salinilactone B
CID 139591554
Salinilactone C
CID 139591555
4,4,7,7-Tetramethyl-3-oxabicyclo[4.1.0]heptan-2-one
CID 572957
4,7,7-Trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 14811998
(1R)-Chrysanthemolactone
CID 2724747
5-Tert-butyl-3-propan-2-yloxolan-2-one
CID 89666173
5-Butyl-1-methyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 126548247
3-(3-Ethyl-5,5-dimethylhexyl)-5-methyloxolan-2-one
CID 143173784

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one (CID 12783971) is 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one is CC(C)C1OC(=O)C2C1C2(C)C.
What is the InChIKey of 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is YEMJEOPTERWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5(2)8-6-7(9(11)12-8)10(6,3)4/h5-8H,1-4H3.
What are the key properties of 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one?
6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 12783971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).