(1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one

C11H16O2 — CID 138983058

IUPAC(1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESCC(C)[C@@]12C=CC(=O)[C@@](C)(CC1)O2
InChIInChI=1S/C11H16O2/c1-8(2)11-5-4-9(12)10(3,13-11)6-7-11/h4-5,8H,6-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyANVYROBEAGSQJO-GHMZBOCLSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds1

About (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one

(1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 138983058) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name(1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
PubChem CID138983058
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESCC(C)[C@@]12C=CC(=O)[C@@](C)(CC1)O2
InChIInChI=1S/C11H16O2/c1-8(2)11-5-4-9(12)10(3,13-11)6-7-11/h4-5,8H,6-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyANVYROBEAGSQJO-GHMZBOCLSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2,6,6-trimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]pyran-3-one
CID 21778693
(1S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-one
CID 135041803
(1S,2S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-one
CID 135041862
(1R,5R)-4-but-3-enyl-5-methyl-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 138983188
(1R,5R)-5-methyl-4-(3-oxobutyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 138983189
(1R,5S,6S)-5-methyl-2-oxo-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CID 139256618
(1R,2R,8S)-1-methyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-one
CID 139256626
(1S,5S)-1,5-dimethyl-2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CID 10559204
(1R,5S)-1,5-dimethyl-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carbonitrile
CID 11052196
2,6,6-Trimethyl-2-(4-methylcyclohex-3-en-1-yl)pyran-3-one
CID 73838159
1,5-Dimethyl-2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CID 85185594

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one (CID 138983058) is (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one is CC(C)[C@@]12C=CC(=O)[C@@](C)(CC1)O2.
What is the InChIKey of (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is ANVYROBEAGSQJO-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)11-5-4-9(12)10(3,13-11)6-7-11/h4-5,8H,6-7H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one?
(1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 138983058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).