2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane

C12H22O — CID 11206170

IUPAC2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESC=COC1CC(C)CCC1C(C)C
InChIInChI=1S/C12H22O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3
InChIKeyIZPAEFLHCVEFSX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.61
Rot. Bonds3

About 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane

2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 11206170) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID11206170
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESC=COC1CC(C)CCC1C(C)C
InChIInChI=1S/C12H22O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3
InChIKeyIZPAEFLHCVEFSX-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.61
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 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane (CID 11206170) is 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane is C=COC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is IZPAEFLHCVEFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3.
What are the key properties of 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane?
2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 11206170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).