2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene

C15H24O3S — CID 129196345

IUPAC2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene
SMILESCCC(C1=CC(S(C)(=O)=O)C=C(OC)C=C1)C(C)C
InChIInChI=1S/C15H24O3S/c1-6-15(11(2)3)12-7-8-13(18-4)10-14(9-12)19(5,16)17/h7-11,14-15H,6H2,1-5H3
InChIKeyQOYJOCBIENQFDL-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.11
Rot. Bonds5

About 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene

2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene (PubChem CID 129196345) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene
PubChem CID129196345
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene
SMILESCCC(C1=CC(S(C)(=O)=O)C=C(OC)C=C1)C(C)C
InChIInChI=1S/C15H24O3S/c1-6-15(11(2)3)12-7-8-13(18-4)10-14(9-12)19(5,16)17/h7-11,14-15H,6H2,1-5H3
InChIKeyQOYJOCBIENQFDL-UHFFFAOYSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-2-methoxy-5-methyl-6-methylsulfonylcyclohexa-1,3-diene
CID 129196348
ethane;(2S,3S)-3-ethyl-2-methyl-1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyhexane;1-methylsulfonylethane
CID 144455556
(5S,6S)-5,6-dimethyl-2-(3-methylsulfonylpropoxy)cyclohexa-1,3-diene
CID 165001616
(3E,5E)-3-methoxy-7-methyl-6-methylsulfonylnona-1,3,5-triene
CID 170957862

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene?
The IUPAC name of 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene (CID 129196345) is 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene is CCC(C1=CC(S(C)(=O)=O)C=C(OC)C=C1)C(C)C.
What is the InChIKey of 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene?
The InChIKey is QOYJOCBIENQFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-6-15(11(2)3)12-7-8-13(18-4)10-14(9-12)19(5,16)17/h7-11,14-15H,6H2,1-5H3.
What are the key properties of 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene?
2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene has a molecular weight of 284.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylpentan-3-yl)-7-methylsulfonylcyclohepta-1,3,5-triene is sourced from PubChem (CID 129196345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).