(17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene

C16H23NO6 — CID 11332048

IUPAC(17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene
SMILESC/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=CC1
InChIInChI=1S/C16H23NO6/c1-13(17-18)14-2-3-15-16(12-14)23-11-9-21-7-5-19-4-6-20-8-10-22-15/h3,12H,2,4-11H2,1H3/b14-13+
InChIKeyKVMRVNBEUKRCMD-BUHFOSPRSA-N
MW325.36 g/mol
LogP2.29
Rot. Bonds1

About (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene

(17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene (PubChem CID 11332048) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene.

Molecular Properties

Compound Name(17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene
PubChem CID11332048
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name(17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene
SMILESC/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=CC1
InChIInChI=1S/C16H23NO6/c1-13(17-18)14-2-3-15-16(12-14)23-11-9-21-7-5-19-4-6-20-8-10-22-15/h3,12H,2,4-11H2,1H3/b14-13+
InChIKeyKVMRVNBEUKRCMD-BUHFOSPRSA-N
XLogP2.29
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene?
The IUPAC name of (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene (CID 11332048) is (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene.
What is the SMILES notation for (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene?
The canonical SMILES for (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene is C/C(N=O)=C1\C=C2OCCOCCOCCOCCOC2=CC1.
What is the InChIKey of (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene?
The InChIKey is KVMRVNBEUKRCMD-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H23NO6/c1-13(17-18)14-2-3-15-16(12-14)23-11-9-21-7-5-19-4-6-20-8-10-22-15/h3,12H,2,4-11H2,1H3/b14-13+.
What are the key properties of (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene?
(17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene has a molecular weight of 325.36 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (17E)-17-(1-nitrosoethylidene)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15-diene is sourced from PubChem (CID 11332048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).