1-methyl-4-(propan-2-yloxymethylidene)cyclohexane

C11H20O — CID 130057972

IUPAC1-methyl-4-(propan-2-yloxymethylidene)cyclohexane
SMILESCC1CCC(=COC(C)C)CC1
InChIInChI=1S/C11H20O/c1-9(2)12-8-11-6-4-10(3)5-7-11/h8-10H,4-7H2,1-3H3/b11-8-
InChIKeyVYQPCKHOOLGTAW-FLIBITNWSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds2

About 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane

1-methyl-4-(propan-2-yloxymethylidene)cyclohexane (PubChem CID 130057972) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(propan-2-yloxymethylidene)cyclohexane
PubChem CID130057972
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-methyl-4-(propan-2-yloxymethylidene)cyclohexane
SMILESCC1CCC(=COC(C)C)CC1
InChIInChI=1S/C11H20O/c1-9(2)12-8-11-6-4-10(3)5-7-11/h8-10H,4-7H2,1-3H3/b11-8-
InChIKeyVYQPCKHOOLGTAW-FLIBITNWSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane?
The IUPAC name of 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane (CID 130057972) is 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane.
What is the SMILES notation for 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane?
The canonical SMILES for 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane is CC1CCC(=COC(C)C)CC1.
What is the InChIKey of 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane?
The InChIKey is VYQPCKHOOLGTAW-FLIBITNWSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)12-8-11-6-4-10(3)5-7-11/h8-10H,4-7H2,1-3H3/b11-8-.
What are the key properties of 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane?
1-methyl-4-(propan-2-yloxymethylidene)cyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propan-2-yloxymethylidene)cyclohexane is sourced from PubChem (CID 130057972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).