1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone

C11H18O2 — CID 23268218

IUPAC1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone
SMILESCOCC(=O)C1CC2C(C1)C2(C)C
InChIInChI=1S/C11H18O2/c1-11(2)8-4-7(5-9(8)11)10(12)6-13-3/h7-9H,4-6H2,1-3H3
InChIKeyDZMRTBPRBRLVJA-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.88
Rot. Bonds3

About 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone

1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone (PubChem CID 23268218) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone
PubChem CID23268218
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone
SMILESCOCC(=O)C1CC2C(C1)C2(C)C
InChIInChI=1S/C11H18O2/c1-11(2)8-4-7(5-9(8)11)10(12)6-13-3/h7-9H,4-6H2,1-3H3
InChIKeyDZMRTBPRBRLVJA-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone?
The IUPAC name of 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone (CID 23268218) is 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone.
What is the SMILES notation for 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone?
The canonical SMILES for 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone is COCC(=O)C1CC2C(C1)C2(C)C.
What is the InChIKey of 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone?
The InChIKey is DZMRTBPRBRLVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2)8-4-7(5-9(8)11)10(12)6-13-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone?
1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone has a molecular weight of 182.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-3-bicyclo[3.1.0]hexanyl)-2-methoxyethanone is sourced from PubChem (CID 23268218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).