5-ethyl-1-methoxybicyclo[4.1.0]heptane

C10H18O — CID 163844778

IUPAC5-ethyl-1-methoxybicyclo[4.1.0]heptane
SMILESCCC1CCCC2(OC)CC12
InChIInChI=1S/C10H18O/c1-3-8-5-4-6-10(11-2)7-9(8)10/h8-9H,3-7H2,1-2H3
InChIKeyOPEAYYCGXVHRAJ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds2

About 5-ethyl-1-methoxybicyclo[4.1.0]heptane

5-ethyl-1-methoxybicyclo[4.1.0]heptane (PubChem CID 163844778) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 5-ethyl-1-methoxybicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-ethyl-1-methoxybicyclo[4.1.0]heptane
PubChem CID163844778
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name5-ethyl-1-methoxybicyclo[4.1.0]heptane
SMILESCCC1CCCC2(OC)CC12
InChIInChI=1S/C10H18O/c1-3-8-5-4-6-10(11-2)7-9(8)10/h8-9H,3-7H2,1-2H3
InChIKeyOPEAYYCGXVHRAJ-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze 5-ethyl-1-methoxybicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methoxybicyclo[4.1.0]heptane?
The IUPAC name of 5-ethyl-1-methoxybicyclo[4.1.0]heptane (CID 163844778) is 5-ethyl-1-methoxybicyclo[4.1.0]heptane.
What is the SMILES notation for 5-ethyl-1-methoxybicyclo[4.1.0]heptane?
The canonical SMILES for 5-ethyl-1-methoxybicyclo[4.1.0]heptane is CCC1CCCC2(OC)CC12.
What is the InChIKey of 5-ethyl-1-methoxybicyclo[4.1.0]heptane?
The InChIKey is OPEAYYCGXVHRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-8-5-4-6-10(11-2)7-9(8)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-1-methoxybicyclo[4.1.0]heptane?
5-ethyl-1-methoxybicyclo[4.1.0]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methoxybicyclo[4.1.0]heptane is sourced from PubChem (CID 163844778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).