1-but-2-enoxyethylcyclohexane

C12H22O — CID 57111923

IUPAC1-but-2-enoxyethylcyclohexane
SMILESCC=CCOC(C)C1CCCCC1
InChIInChI=1S/C12H22O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3
InChIKeyAXTDFNOEGKSMGG-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds4

About 1-but-2-enoxyethylcyclohexane

1-but-2-enoxyethylcyclohexane (PubChem CID 57111923) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-but-2-enoxyethylcyclohexane.

Molecular Properties

Compound Name1-but-2-enoxyethylcyclohexane
PubChem CID57111923
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-but-2-enoxyethylcyclohexane
SMILESCC=CCOC(C)C1CCCCC1
InChIInChI=1S/C12H22O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3
InChIKeyAXTDFNOEGKSMGG-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxyethylcyclohexane?
The IUPAC name of 1-but-2-enoxyethylcyclohexane (CID 57111923) is 1-but-2-enoxyethylcyclohexane.
What is the SMILES notation for 1-but-2-enoxyethylcyclohexane?
The canonical SMILES for 1-but-2-enoxyethylcyclohexane is CC=CCOC(C)C1CCCCC1.
What is the InChIKey of 1-but-2-enoxyethylcyclohexane?
The InChIKey is AXTDFNOEGKSMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 1-but-2-enoxyethylcyclohexane?
1-but-2-enoxyethylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxyethylcyclohexane is sourced from PubChem (CID 57111923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).