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

C17H30O2 — CID 134270887

IUPAC4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane
SMILESCCCC/C=C/COC(C)(C)C1CCCCC12CO2
InChIInChI=1S/C17H30O2/c1-4-5-6-7-10-13-18-16(2,3)15-11-8-9-12-17(15)14-19-17/h7,10,15H,4-6,8-9,11-14H2,1-3H3/b10-7+
InChIKeyNXHZLWWJBLQFII-JXMROGBWSA-N
MW266.42 g/mol
LogP4.49
Rot. Bonds7

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

4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane (PubChem CID 134270887) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane
PubChem CID134270887
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane
SMILESCCCC/C=C/COC(C)(C)C1CCCCC12CO2
InChIInChI=1S/C17H30O2/c1-4-5-6-7-10-13-18-16(2,3)15-11-8-9-12-17(15)14-19-17/h7,10,15H,4-6,8-9,11-14H2,1-3H3/b10-7+
InChIKeyNXHZLWWJBLQFII-JXMROGBWSA-N
XLogP4.49
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.49
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]-1-oxaspiro[2.5]octane?
The IUPAC name of 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane (CID 134270887) is 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane.
What is the SMILES notation for 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane?
The canonical SMILES for 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane is CCCC/C=C/COC(C)(C)C1CCCCC12CO2.
What is the InChIKey of 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane?
The InChIKey is NXHZLWWJBLQFII-JXMROGBWSA-N. The full InChI is InChI=1S/C17H30O2/c1-4-5-6-7-10-13-18-16(2,3)15-11-8-9-12-17(15)14-19-17/h7,10,15H,4-6,8-9,11-14H2,1-3H3/b10-7+.
What are the key properties of 4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane?
4-[2-[(E)-hept-2-enoxy]propan-2-yl]-1-oxaspiro[2.5]octane has a molecular weight of 266.42 g/mol, XLogP of 4.49, 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]-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134270887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).