(1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene

C15H22O2 — CID 11458977

IUPAC(1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene
SMILESC1=C[C@@H]2CCCC[C@]23[C@@H](C1)O[C@@H]1OCCC[C@@H]13
InChIInChI=1S/C15H22O2/c1-2-9-15-11(5-1)6-3-8-13(15)17-14-12(15)7-4-10-16-14/h3,6,11-14H,1-2,4-5,7-10H2/t11-,12-,13+,14-,15-/m0/s1
InChIKeyCYODRNSZURHJPL-RMEBNNNOSA-N
MW234.34 g/mol
LogP3.27
Rot. Bonds

About (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene

(1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene (PubChem CID 11458977) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene.

Molecular Properties

Compound Name(1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene
PubChem CID11458977
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene
SMILESC1=C[C@@H]2CCCC[C@]23[C@@H](C1)O[C@@H]1OCCC[C@@H]13
InChIInChI=1S/C15H22O2/c1-2-9-15-11(5-1)6-3-8-13(15)17-14-12(15)7-4-10-16-14/h3,6,11-14H,1-2,4-5,7-10H2/t11-,12-,13+,14-,15-/m0/s1
InChIKeyCYODRNSZURHJPL-RMEBNNNOSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.27
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 (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene?
The IUPAC name of (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene (CID 11458977) is (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene.
What is the SMILES notation for (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene?
The canonical SMILES for (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene is C1=C[C@@H]2CCCC[C@]23[C@@H](C1)O[C@@H]1OCCC[C@@H]13.
What is the InChIKey of (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene?
The InChIKey is CYODRNSZURHJPL-RMEBNNNOSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-9-15-11(5-1)6-3-8-13(15)17-14-12(15)7-4-10-16-14/h3,6,11-14H,1-2,4-5,7-10H2/t11-,12-,13+,14-,15-/m0/s1.
What are the key properties of (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene?
(1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene has a molecular weight of 234.34 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,10R,12S,17R)-11,13-dioxatetracyclo[8.7.0.01,6.012,17]heptadec-7-ene is sourced from PubChem (CID 11458977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).