4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane

C18H30O2 — CID 134270818

IUPAC4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
SMILESC=C1CCC2(CO2)C(C(C)(C)OC/C=C/CCCC)C1
InChIInChI=1S/C18H30O2/c1-5-6-7-8-9-12-19-17(3,4)16-13-15(2)10-11-18(16)14-20-18/h8-9,16H,2,5-7,10-14H2,1,3-4H3/b9-8+
InChIKeyKXNZJJGLKWNZGI-CMDGGOBGSA-N
MW278.44 g/mol
LogP4.65
Rot. Bonds7

About 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane

4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane (PubChem CID 134270818) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
PubChem CID134270818
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane
SMILESC=C1CCC2(CO2)C(C(C)(C)OC/C=C/CCCC)C1
InChIInChI=1S/C18H30O2/c1-5-6-7-8-9-12-19-17(3,4)16-13-15(2)10-11-18(16)14-20-18/h8-9,16H,2,5-7,10-14H2,1,3-4H3/b9-8+
InChIKeyKXNZJJGLKWNZGI-CMDGGOBGSA-N
XLogP4.65
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane?
The IUPAC name of 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane (CID 134270818) is 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane is C=C1CCC2(CO2)C(C(C)(C)OC/C=C/CCCC)C1.
What is the InChIKey of 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane?
The InChIKey is KXNZJJGLKWNZGI-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H30O2/c1-5-6-7-8-9-12-19-17(3,4)16-13-15(2)10-11-18(16)14-20-18/h8-9,16H,2,5-7,10-14H2,1,3-4H3/b9-8+.
What are the key properties of 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane?
4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane has a molecular weight of 278.44 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-6-methylidene-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134270818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).