3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane

C18H30O — CID 166461086

IUPAC3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane
SMILESCC/C=C\c1c(C)c(C)cc(OC)c1CC.CCC
InChIInChI=1S/C15H22O.C3H8/c1-6-8-9-14-12(4)11(3)10-15(16-5)13(14)7-2;1-3-2/h8-10H,6-7H2,1-5H3;3H2,1-2H3/b9-8-;
InChIKeyGEPBEQCZHMRSOI-UOQXYWCXSA-N
MW262.44 g/mol
LogP5.71
Rot. Bonds4

About 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane

3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane (PubChem CID 166461086) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane
PubChem CID166461086
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane
SMILESCC/C=C\c1c(C)c(C)cc(OC)c1CC.CCC
InChIInChI=1S/C15H22O.C3H8/c1-6-8-9-14-12(4)11(3)10-15(16-5)13(14)7-2;1-3-2/h8-10H,6-7H2,1-5H3;3H2,1-2H3/b9-8-;
InChIKeyGEPBEQCZHMRSOI-UOQXYWCXSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane 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 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane?
The IUPAC name of 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane (CID 166461086) is 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane?
The canonical SMILES for 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane is CC/C=C\c1c(C)c(C)cc(OC)c1CC.CCC.
What is the InChIKey of 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane?
The InChIKey is GEPBEQCZHMRSOI-UOQXYWCXSA-N. The full InChI is InChI=1S/C15H22O.C3H8/c1-6-8-9-14-12(4)11(3)10-15(16-5)13(14)7-2;1-3-2/h8-10H,6-7H2,1-5H3;3H2,1-2H3/b9-8-;.
What are the key properties of 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane?
3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane has a molecular weight of 262.44 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-2-ethyl-1-methoxy-4,5-dimethylbenzene;propane is sourced from PubChem (CID 166461086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).