1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane

C10H18O — CID 13468570

IUPAC1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane
SMILESCOC12CCCCC1C2(C)C
InChIInChI=1S/C10H18O/c1-9(2)8-6-4-5-7-10(8,9)11-3/h8H,4-7H2,1-3H3
InChIKeyMMLNOXPCBKPEIC-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds1

About 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane

1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane (PubChem CID 13468570) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane
PubChem CID13468570
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane
SMILESCOC12CCCCC1C2(C)C
InChIInChI=1S/C10H18O/c1-9(2)8-6-4-5-7-10(8,9)11-3/h8H,4-7H2,1-3H3
InChIKeyMMLNOXPCBKPEIC-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane?
The IUPAC name of 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane (CID 13468570) is 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane?
The canonical SMILES for 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane is COC12CCCCC1C2(C)C.
What is the InChIKey of 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane?
The InChIKey is MMLNOXPCBKPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)8-6-4-5-7-10(8,9)11-3/h8H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane?
1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7,7-dimethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 13468570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).