(3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene

C12H16O6 — CID 134863312

IUPAC(3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene
SMILESCC12OC3C4OC/C=C\COCC(O[C@@H]3O1)[C@H]4O2
InChIInChI=1S/C12H16O6/c1-12-16-8-7-6-13-4-2-3-5-14-9(8)10(17-12)11(15-7)18-12/h2-3,7-11H,4-6H2,1H3/b3-2-/t7?,8-,9?,10?,11-,12?/m1/s1
InChIKeyONWGJYDORRLISX-CHIZEIIKSA-N
MW256.25 g/mol
LogP0.17
Rot. Bonds

About (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene

(3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene (PubChem CID 134863312) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene.

Molecular Properties

Compound Name(3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene
PubChem CID134863312
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene
SMILESCC12OC3C4OC/C=C\COCC(O[C@@H]3O1)[C@H]4O2
InChIInChI=1S/C12H16O6/c1-12-16-8-7-6-13-4-2-3-5-14-9(8)10(17-12)11(15-7)18-12/h2-3,7-11H,4-6H2,1H3/b3-2-/t7?,8-,9?,10?,11-,12?/m1/s1
InChIKeyONWGJYDORRLISX-CHIZEIIKSA-N
XLogP0.17
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene?
The IUPAC name of (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene (CID 134863312) is (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene.
What is the SMILES notation for (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene?
The canonical SMILES for (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene is CC12OC3C4OC/C=C\COCC(O[C@@H]3O1)[C@H]4O2.
What is the InChIKey of (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene?
The InChIKey is ONWGJYDORRLISX-CHIZEIIKSA-N. The full InChI is InChI=1S/C12H16O6/c1-12-16-8-7-6-13-4-2-3-5-14-9(8)10(17-12)11(15-7)18-12/h2-3,7-11H,4-6H2,1H3/b3-2-/t7?,8-,9?,10?,11-,12?/m1/s1.
What are the key properties of (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene?
(3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene has a molecular weight of 256.25 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7Z,14R)-1-methyl-2,5,10,13,16,17-hexaoxatetracyclo[12.2.1.03,12.04,15]heptadec-7-ene is sourced from PubChem (CID 134863312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).