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

C12H20O — CID 11321310

IUPAC1-prop-2-enoxy-1-prop-2-enylcyclohexane
SMILESC=CCOC1(CC=C)CCCCC1
InChIInChI=1S/C12H20O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-4H,1-2,5-11H2
InChIKeyIPEFFLNUGFRKEO-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds5

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

1-prop-2-enoxy-1-prop-2-enylcyclohexane (PubChem CID 11321310) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-prop-2-enoxy-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-prop-2-enoxy-1-prop-2-enylcyclohexane
PubChem CID11321310
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-prop-2-enoxy-1-prop-2-enylcyclohexane
SMILESC=CCOC1(CC=C)CCCCC1
InChIInChI=1S/C12H20O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-4H,1-2,5-11H2
InChIKeyIPEFFLNUGFRKEO-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
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-enoxy-1-prop-2-enylcyclohexane?
The IUPAC name of 1-prop-2-enoxy-1-prop-2-enylcyclohexane (CID 11321310) is 1-prop-2-enoxy-1-prop-2-enylcyclohexane.
What is the SMILES notation for 1-prop-2-enoxy-1-prop-2-enylcyclohexane?
The canonical SMILES for 1-prop-2-enoxy-1-prop-2-enylcyclohexane is C=CCOC1(CC=C)CCCCC1.
What is the InChIKey of 1-prop-2-enoxy-1-prop-2-enylcyclohexane?
The InChIKey is IPEFFLNUGFRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-4H,1-2,5-11H2.
What are the key properties of 1-prop-2-enoxy-1-prop-2-enylcyclohexane?
1-prop-2-enoxy-1-prop-2-enylcyclohexane has a molecular weight of 180.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-1-prop-2-enylcyclohexane is sourced from PubChem (CID 11321310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).