1-but-2-enoxy-1-prop-2-enylcyclohexane

C13H22O — CID 139894341

IUPAC1-but-2-enoxy-1-prop-2-enylcyclohexane
SMILESC=CCC1(OCC=CC)CCCCC1
InChIInChI=1S/C13H22O/c1-3-5-12-14-13(9-4-2)10-7-6-8-11-13/h3-5H,2,6-12H2,1H3
InChIKeyNGWLQMYLPIKPJL-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.86
Rot. Bonds5

About 1-but-2-enoxy-1-prop-2-enylcyclohexane

1-but-2-enoxy-1-prop-2-enylcyclohexane (PubChem CID 139894341) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-but-2-enoxy-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-but-2-enoxy-1-prop-2-enylcyclohexane
PubChem CID139894341
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-but-2-enoxy-1-prop-2-enylcyclohexane
SMILESC=CCC1(OCC=CC)CCCCC1
InChIInChI=1S/C13H22O/c1-3-5-12-14-13(9-4-2)10-7-6-8-11-13/h3-5H,2,6-12H2,1H3
InChIKeyNGWLQMYLPIKPJL-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-prop-2-enylcyclohexyl) formate
CID 12671777
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
1,1-bis(prop-2-enoxy)cyclohexane
CID 10867252
1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane
CID 122552776
N-methyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272994
2-[1-[(E)-but-2-enoxy]cyclohexyl]furan
CID 10911088
2-(1-prop-2-enylcyclohexyl)acetaldehyde
CID 163359647
1-prop-2-enylcyclododecan-1-ol
CID 11770111
1-prop-2-enylcyclooctan-1-ol
CID 12640793
1-iodo-1-prop-2-enylcyclohexane
CID 140656349
1-prop-2-enylcyclodecan-1-ol
CID 102287484

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxy-1-prop-2-enylcyclohexane?
The IUPAC name of 1-but-2-enoxy-1-prop-2-enylcyclohexane (CID 139894341) is 1-but-2-enoxy-1-prop-2-enylcyclohexane.
What is the SMILES notation for 1-but-2-enoxy-1-prop-2-enylcyclohexane?
The canonical SMILES for 1-but-2-enoxy-1-prop-2-enylcyclohexane is C=CCC1(OCC=CC)CCCCC1.
What is the InChIKey of 1-but-2-enoxy-1-prop-2-enylcyclohexane?
The InChIKey is NGWLQMYLPIKPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-5-12-14-13(9-4-2)10-7-6-8-11-13/h3-5H,2,6-12H2,1H3.
What are the key properties of 1-but-2-enoxy-1-prop-2-enylcyclohexane?
1-but-2-enoxy-1-prop-2-enylcyclohexane has a molecular weight of 194.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxy-1-prop-2-enylcyclohexane is sourced from PubChem (CID 139894341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).