cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone

C20H34O3 — CID 143521479

IUPACcyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone
SMILESCOC1C(C)CC(OCC=C(C)C)CC1C(=O)C1CCCCC1
InChIInChI=1S/C20H34O3/c1-14(2)10-11-23-17-12-15(3)20(22-4)18(13-17)19(21)16-8-6-5-7-9-16/h10,15-18,20H,5-9,11-13H2,1-4H3
InChIKeyAEHRAHQQIJJKBG-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.55
Rot. Bonds6

About cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone

cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone (PubChem CID 143521479) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone
PubChem CID143521479
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Namecyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone
SMILESCOC1C(C)CC(OCC=C(C)C)CC1C(=O)C1CCCCC1
InChIInChI=1S/C20H34O3/c1-14(2)10-11-23-17-12-15(3)20(22-4)18(13-17)19(21)16-8-6-5-7-9-16/h10,15-18,20H,5-9,11-13H2,1-4H3
InChIKeyAEHRAHQQIJJKBG-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone 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 cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone?
The IUPAC name of cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone (CID 143521479) is cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone.
What is the SMILES notation for cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone?
The canonical SMILES for cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone is COC1C(C)CC(OCC=C(C)C)CC1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone?
The InChIKey is AEHRAHQQIJJKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-14(2)10-11-23-17-12-15(3)20(22-4)18(13-17)19(21)16-8-6-5-7-9-16/h10,15-18,20H,5-9,11-13H2,1-4H3.
What are the key properties of cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone?
cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone has a molecular weight of 322.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-methoxy-3-methyl-5-(3-methylbut-2-enoxy)cyclohexyl]methanone is sourced from PubChem (CID 143521479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).