1-prop-2-enoxybut-3-enylcyclohexane

C13H22O — CID 10631684

IUPAC1-prop-2-enoxybut-3-enylcyclohexane
SMILESC=CCOC(CC=C)C1CCCCC1
InChIInChI=1S/C13H22O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-4,12-13H,1-2,5-11H2
InChIKeyBXFROFYBOCZPSO-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.71
Rot. Bonds6

About 1-prop-2-enoxybut-3-enylcyclohexane

1-prop-2-enoxybut-3-enylcyclohexane (PubChem CID 10631684) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-prop-2-enoxybut-3-enylcyclohexane.

Molecular Properties

Compound Name1-prop-2-enoxybut-3-enylcyclohexane
PubChem CID10631684
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-prop-2-enoxybut-3-enylcyclohexane
SMILESC=CCOC(CC=C)C1CCCCC1
InChIInChI=1S/C13H22O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-4,12-13H,1-2,5-11H2
InChIKeyBXFROFYBOCZPSO-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.71
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-prop-2-enoxybut-3-enylcyclohexane?
The IUPAC name of 1-prop-2-enoxybut-3-enylcyclohexane (CID 10631684) is 1-prop-2-enoxybut-3-enylcyclohexane.
What is the SMILES notation for 1-prop-2-enoxybut-3-enylcyclohexane?
The canonical SMILES for 1-prop-2-enoxybut-3-enylcyclohexane is C=CCOC(CC=C)C1CCCCC1.
What is the InChIKey of 1-prop-2-enoxybut-3-enylcyclohexane?
The InChIKey is BXFROFYBOCZPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-4,12-13H,1-2,5-11H2.
What are the key properties of 1-prop-2-enoxybut-3-enylcyclohexane?
1-prop-2-enoxybut-3-enylcyclohexane has a molecular weight of 194.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxybut-3-enylcyclohexane is sourced from PubChem (CID 10631684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).