(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene

C14H24O3 — CID 15321473

IUPAC(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene
SMILESC1=C/CCCO[C@H]2CCCO[C@@H]2COCCC/1
InChIInChI=1S/C14H24O3/c1-2-4-6-10-16-13-8-7-11-17-14(13)12-15-9-5-3-1/h1-2,13-14H,3-12H2/b2-1+/t13-,14+/m0/s1
InChIKeyBSILTHQSUMNGJS-OHVOQOPOSA-N
MW240.34 g/mol
LogP2.70
Rot. Bonds

About (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene

(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene (PubChem CID 15321473) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene.

Molecular Properties

Compound Name(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene
PubChem CID15321473
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene
SMILESC1=C/CCCO[C@H]2CCCO[C@@H]2COCCC/1
InChIInChI=1S/C14H24O3/c1-2-4-6-10-16-13-8-7-11-17-14(13)12-15-9-5-3-1/h1-2,13-14H,3-12H2/b2-1+/t13-,14+/m0/s1
InChIKeyBSILTHQSUMNGJS-OHVOQOPOSA-N
XLogP2.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene with MolForge

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Related Compounds

2-(oxiran-2-yl)oxolane
CID 18759351
2-(oxolan-2-yl)-3,4-dihydro-2H-pyran
CID 141197710
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene
CID 10727868
4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;ethane;toluene
CID 143765684
(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 10959677
2-(oxan-3-yl)oxan-3-amine
CID 79364685
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 146474205
3-(oxolan-2-yl)dioxolane
CID 22111450
cyclobutane;cycloheptane;bis(cyclohexane);cyclopentane;cyclopentene;cyclopropane;oxane
CID 158750848
1-oxacyclotricos-18-ene
CID 57206831

Frequently Asked Questions

What is the IUPAC name of (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene?
The IUPAC name of (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene (CID 15321473) is (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene.
What is the SMILES notation for (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene?
The canonical SMILES for (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene is C1=C/CCCO[C@H]2CCCO[C@@H]2COCCC/1.
What is the InChIKey of (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene?
The InChIKey is BSILTHQSUMNGJS-OHVOQOPOSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-4-6-10-16-13-8-7-11-17-14(13)12-15-9-5-3-1/h1-2,13-14H,3-12H2/b2-1+/t13-,14+/m0/s1.
What are the key properties of (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene?
(1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene has a molecular weight of 240.34 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6E,13R)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene is sourced from PubChem (CID 15321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).