ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene

C16H26N2O2 — CID 164922763

IUPACethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
SMILESCC.CCOCC12CCCN1C1Cc3nocc3C1C2
InChIInChI=1S/C14H20N2O2.C2H6/c1-2-17-9-14-4-3-5-16(14)13-6-12-11(8-18-15-12)10(13)7-14;1-2/h8,10,13H,2-7,9H2,1H3;1-2H3
InChIKeyRMRWRVHCLGTKJY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.98
Rot. Bonds3

About ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene

ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene (PubChem CID 164922763) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene.

Molecular Properties

Compound Nameethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
PubChem CID164922763
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
SMILESCC.CCOCC12CCCN1C1Cc3nocc3C1C2
InChIInChI=1S/C14H20N2O2.C2H6/c1-2-17-9-14-4-3-5-16(14)13-6-12-11(8-18-15-12)10(13)7-14;1-2/h8,10,13H,2-7,9H2,1H3;1-2H3
InChIKeyRMRWRVHCLGTKJY-UHFFFAOYSA-N
XLogP2.98
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Methoxymethyl)-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 164922467
11-Oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922633
9-O-tert-butyl 10-O-methyl 10-(3-chloropropyl)-4-oxa-3,9-diazatricyclo[6.3.0.02,6]undeca-2,5-diene-9,10-dicarboxylate
CID 164922646
Ethane;11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922741
11-Oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922742
Methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate
CID 164922758
6-Methyl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 169560020
6-(2-Methylpropyl)-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 169560223
6-Propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590794
6-[(2-Methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590841
6-[(2-Methylpropan-2-yl)oxymethyl]-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590868
6-(3-Methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590891

Frequently Asked Questions

What is the IUPAC name of ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The IUPAC name of ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene (CID 164922763) is ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene.
What is the SMILES notation for ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The canonical SMILES for ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene is CC.CCOCC12CCCN1C1Cc3nocc3C1C2.
What is the InChIKey of ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
The InChIKey is RMRWRVHCLGTKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C2H6/c1-2-17-9-14-4-3-5-16(14)13-6-12-11(8-18-15-12)10(13)7-14;1-2/h8,10,13H,2-7,9H2,1H3;1-2H3.
What are the key properties of ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene?
ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene has a molecular weight of 278.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene is sourced from PubChem (CID 164922763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).