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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Related Compounds

(1R,4R,5S)-6,6-dimethyl-4-[(4S)-6-methylhept-2-yn-4-yl]oxy-3-oxabicyclo[3.1.0]hexan-2-one
CID 11010384
trans-[(1S,5R)-6,6-dimethyl-4-oxo-3-oxabicyclo[3.1.0]hexan-2-yl] (1R,3S)-3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 102330992
3,3-dimethyl-6-propan-2-yl-6,6a-dihydro-3aH-furo[3,4-c]pyrazol-4-one
CID 13474358
(1R,4S,5S,6S)-5-bromo-4-fluoro-4,7,7-trimethyl-3-oxabicyclo[4.1.0]heptan-2-one;(1R,4R,5S,6S)-5-bromo-4-fluoro-4,7,7-trimethyl-3-oxabicyclo[4.1.0]heptan-2-one;(1R,4S,5R,6S)-5-bromo-4-fluoro-4,7,7-trimethyl-3-oxabicyclo[4.1.0]heptan-2-one
CID 162053105
4-amino-3-propan-2-yloxy-1,2-oxazolidin-5-one
CID 10419465
(1R,4S,5S,6S)-5-bromo-4-fluoro-4,7,7-trimethyl-3-oxabicyclo[4.1.0]heptan-2-one
CID 12010744
(4S,4aR,7R,7aR)-2,2-dimethyl-6-oxo-7-propan-2-yloxy-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-4-carbaldehyde
CID 58120464
(3S,5S)-3-hydroxy-5-(1-hydroxyethyl)-4,4-dimethyloxolan-2-one
CID 102455178
[(3aS,6R,6aR)-2,2-dimethyl-4-methylidene-6-propan-2-yloxy-6,6a-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]methanol
CID 71697895
(1R,3R,7S,8R,9R)-1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecan-6-one
CID 177452385
(3S,4R,5R)-3,4-dimethyl-5-propan-2-yloxolan-2-one
CID 45096004
(4R)-4-[(1S)-1-methoxyethyl]-3,3-dimethyloxetan-2-one
CID 10487150

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).