1-prop-2-enoxy-1-prop-2-enylcycloheptane

C13H22O — CID 11116927

IUPAC1-prop-2-enoxy-1-prop-2-enylcycloheptane
SMILESC=CCOC1(CC=C)CCCCCC1
InChIInChI=1S/C13H22O/c1-3-9-13(14-12-4-2)10-7-5-6-8-11-13/h3-4H,1-2,5-12H2
InChIKeyWHFRMEOFSIKMOH-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.86
Rot. Bonds5

About 1-prop-2-enoxy-1-prop-2-enylcycloheptane

1-prop-2-enoxy-1-prop-2-enylcycloheptane (PubChem CID 11116927) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-prop-2-enoxy-1-prop-2-enylcycloheptane.

Molecular Properties

Compound Name1-prop-2-enoxy-1-prop-2-enylcycloheptane
PubChem CID11116927
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-prop-2-enoxy-1-prop-2-enylcycloheptane
SMILESC=CCOC1(CC=C)CCCCCC1
InChIInChI=1S/C13H22O/c1-3-9-13(14-12-4-2)10-7-5-6-8-11-13/h3-4H,1-2,5-12H2
InChIKeyWHFRMEOFSIKMOH-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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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-1-prop-2-enylcycloheptane?
The IUPAC name of 1-prop-2-enoxy-1-prop-2-enylcycloheptane (CID 11116927) is 1-prop-2-enoxy-1-prop-2-enylcycloheptane.
What is the SMILES notation for 1-prop-2-enoxy-1-prop-2-enylcycloheptane?
The canonical SMILES for 1-prop-2-enoxy-1-prop-2-enylcycloheptane is C=CCOC1(CC=C)CCCCCC1.
What is the InChIKey of 1-prop-2-enoxy-1-prop-2-enylcycloheptane?
The InChIKey is WHFRMEOFSIKMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-9-13(14-12-4-2)10-7-5-6-8-11-13/h3-4H,1-2,5-12H2.
What are the key properties of 1-prop-2-enoxy-1-prop-2-enylcycloheptane?
1-prop-2-enoxy-1-prop-2-enylcycloheptane 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-prop-2-enoxy-1-prop-2-enylcycloheptane is sourced from PubChem (CID 11116927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).