(12E)-1,4-dioxaspiro[4.15]icos-12-ene

C18H32O2 — CID 11357975

IUPAC(12E)-1,4-dioxaspiro[4.15]icos-12-ene
SMILESC1=C/CCCCCCC2(CCCCCCC/1)OCCO2
InChIInChI=1S/C18H32O2/c1-2-4-6-8-10-12-14-18(19-16-17-20-18)15-13-11-9-7-5-3-1/h1-2H,3-17H2/b2-1+
InChIKeyRMDCTVVVPROCND-OWOJBTEDSA-N
MW280.45 g/mol
LogP5.37
Rot. Bonds

About (12E)-1,4-dioxaspiro[4.15]icos-12-ene

(12E)-1,4-dioxaspiro[4.15]icos-12-ene (PubChem CID 11357975) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (12E)-1,4-dioxaspiro[4.15]icos-12-ene.

Molecular Properties

Compound Name(12E)-1,4-dioxaspiro[4.15]icos-12-ene
PubChem CID11357975
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(12E)-1,4-dioxaspiro[4.15]icos-12-ene
SMILESC1=C/CCCCCCC2(CCCCCCC/1)OCCO2
InChIInChI=1S/C18H32O2/c1-2-4-6-8-10-12-14-18(19-16-17-20-18)15-13-11-9-7-5-3-1/h1-2H,3-17H2/b2-1+
InChIKeyRMDCTVVVPROCND-OWOJBTEDSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (12E)-1,4-dioxaspiro[4.15]icos-12-ene?
The IUPAC name of (12E)-1,4-dioxaspiro[4.15]icos-12-ene (CID 11357975) is (12E)-1,4-dioxaspiro[4.15]icos-12-ene.
What is the SMILES notation for (12E)-1,4-dioxaspiro[4.15]icos-12-ene?
The canonical SMILES for (12E)-1,4-dioxaspiro[4.15]icos-12-ene is C1=C/CCCCCCC2(CCCCCCC/1)OCCO2.
What is the InChIKey of (12E)-1,4-dioxaspiro[4.15]icos-12-ene?
The InChIKey is RMDCTVVVPROCND-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-4-6-8-10-12-14-18(19-16-17-20-18)15-13-11-9-7-5-3-1/h1-2H,3-17H2/b2-1+.
What are the key properties of (12E)-1,4-dioxaspiro[4.15]icos-12-ene?
(12E)-1,4-dioxaspiro[4.15]icos-12-ene has a molecular weight of 280.45 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12E)-1,4-dioxaspiro[4.15]icos-12-ene is sourced from PubChem (CID 11357975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).