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

C10H16O3 — CID 14326045

IUPAC6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC(C)OC1OC(=O)C2C1C2(C)C
InChIInChI=1S/C10H16O3/c1-5(2)12-9-7-6(8(11)13-9)10(7,3)4/h5-7,9H,1-4H3
InChIKeyDEASRGTYVYXRKF-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds2

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

6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 14326045) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID14326045
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC(C)OC1OC(=O)C2C1C2(C)C
InChIInChI=1S/C10H16O3/c1-5(2)12-9-7-6(8(11)13-9)10(7,3)4/h5-7,9H,1-4H3
InChIKeyDEASRGTYVYXRKF-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one (CID 14326045) is 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one is CC(C)OC1OC(=O)C2C1C2(C)C.
What is the InChIKey of 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is DEASRGTYVYXRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5(2)12-9-7-6(8(11)13-9)10(7,3)4/h5-7,9H,1-4H3.
What are the key properties of 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one?
6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-propan-2-yloxy-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 14326045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).