(1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane

C15H28O2 — CID 130284633

IUPAC(1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane
SMILESCO[C@]1(C)CCCCC1C(C)OCC=C(C)C
InChIInChI=1S/C15H28O2/c1-12(2)9-11-17-13(3)14-8-6-7-10-15(14,4)16-5/h9,13-14H,6-8,10-11H2,1-5H3/t13?,14?,15-/m1/s1
InChIKeyQOGGIUKANKTOBV-YMAMQOFZSA-N
MW240.39 g/mol
LogP3.95
Rot. Bonds5

About (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane

(1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane (PubChem CID 130284633) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane.

Molecular Properties

Compound Name(1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane
PubChem CID130284633
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane
SMILESCO[C@]1(C)CCCCC1C(C)OCC=C(C)C
InChIInChI=1S/C15H28O2/c1-12(2)9-11-17-13(3)14-8-6-7-10-15(14,4)16-5/h9,13-14H,6-8,10-11H2,1-5H3/t13?,14?,15-/m1/s1
InChIKeyQOGGIUKANKTOBV-YMAMQOFZSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane 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 (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane?
The IUPAC name of (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane (CID 130284633) is (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane.
What is the SMILES notation for (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane?
The canonical SMILES for (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane is CO[C@]1(C)CCCCC1C(C)OCC=C(C)C.
What is the InChIKey of (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane?
The InChIKey is QOGGIUKANKTOBV-YMAMQOFZSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)9-11-17-13(3)14-8-6-7-10-15(14,4)16-5/h9,13-14H,6-8,10-11H2,1-5H3/t13?,14?,15-/m1/s1.
What are the key properties of (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane?
(1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane has a molecular weight of 240.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methoxy-1-methyl-2-[1-(3-methylbut-2-enoxy)ethyl]cyclohexane is sourced from PubChem (CID 130284633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).