(1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one

C8H12O2 — CID 124585030

IUPAC(1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one
SMILESCOC[C@@H]1[C@@H]2CCC(=O)[C@@H]12
InChIInChI=1S/C8H12O2/c1-10-4-6-5-2-3-7(9)8(5)6/h5-6,8H,2-4H2,1H3/t5-,6+,8+/m0/s1
InChIKeySLKCIDSJLGFPGQ-SHYZEUOFSA-N
MW140.18 g/mol
LogP0.86
Rot. Bonds2

About (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one

(1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one (PubChem CID 124585030) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one
PubChem CID124585030
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one
SMILESCOC[C@@H]1[C@@H]2CCC(=O)[C@@H]12
InChIInChI=1S/C8H12O2/c1-10-4-6-5-2-3-7(9)8(5)6/h5-6,8H,2-4H2,1H3/t5-,6+,8+/m0/s1
InChIKeySLKCIDSJLGFPGQ-SHYZEUOFSA-N
XLogP0.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-propylbicyclo[3.1.0]hexan-2-one
CID 69061464
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996
(1S,5R)-6-ethoxybicyclo[3.1.0]hexan-2-one
CID 89135582
6-prop-2-enylbicyclo[3.1.0]hexan-2-one
CID 69069839
(3aS,3bR,6aS,7aR)-7-methyl-3,3a,3b,4,5,6a,7,7a-octahydro-2H-cyclopenta[a]pentalene-1,6-dione
CID 12882597
(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
CID 58906730
methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130877712
6-(methoxymethyl)bicyclo[3.1.0]hexane
CID 147202482
2-(methoxymethoxymethyl)cyclopentane-1,3-dione
CID 23560436
(1S,5S)-6,7-dichlorobicyclo[3.2.0]heptan-2-one
CID 10726026
(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 124553090
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 4179838

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one (CID 124585030) is (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one is COC[C@@H]1[C@@H]2CCC(=O)[C@@H]12.
What is the InChIKey of (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one?
The InChIKey is SLKCIDSJLGFPGQ-SHYZEUOFSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-4-6-5-2-3-7(9)8(5)6/h5-6,8H,2-4H2,1H3/t5-,6+,8+/m0/s1.
What are the key properties of (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one?
(1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one has a molecular weight of 140.18 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 124585030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).