ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene

C17H33NO2 — CID 144515564

IUPACethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
SMILESCC.COC1/C=C/CCN(C)CCOC/C(C)=C\CC1
InChIInChI=1S/C15H27NO2.C2H6/c1-14-7-6-9-15(17-3)8-4-5-10-16(2)11-12-18-13-14;1-2/h4,7-8,15H,5-6,9-13H2,1-3H3;1-2H3/b8-4+,14-7-;
InChIKeyMVYGDWBBZQDHJZ-QMRVJPDPSA-N
MW283.46 g/mol
LogP3.66
Rot. Bonds1

About ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene

ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene (PubChem CID 144515564) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene.

Molecular Properties

Compound Nameethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
PubChem CID144515564
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
SMILESCC.COC1/C=C/CCN(C)CCOC/C(C)=C\CC1
InChIInChI=1S/C15H27NO2.C2H6/c1-14-7-6-9-15(17-3)8-4-5-10-16(2)11-12-18-13-14;1-2/h4,7-8,15H,5-6,9-13H2,1-3H3;1-2H3/b8-4+,14-7-;
InChIKeyMVYGDWBBZQDHJZ-QMRVJPDPSA-N
XLogP3.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine
CID 139502018
N,N,N'-trimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
CID 139502115
4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine
CID 142097269
2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]-N,N-dimethylethanamine
CID 144515476
(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515516
(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515531
(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515537
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(E)-2-methyl-6-methylideneoct-2-enoxy]propyl]propane-1,3-diamine
CID 146551006
N,N,N'-trimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
CID 149478274
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-[(2Z)-2-methyl-6-methylideneocta-2,7-dienoxy]propyl]propane-1,3-diamine
CID 154986329
2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine
CID 155031392
4-[2-(3,7,11-Trimethyldodeca-2,6,10-trienoxy)ethyl]morpholine
CID 163793089

Frequently Asked Questions

What is the IUPAC name of ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The IUPAC name of ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene (CID 144515564) is ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene.
What is the SMILES notation for ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The canonical SMILES for ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene is CC.COC1/C=C/CCN(C)CCOC/C(C)=C\CC1.
What is the InChIKey of ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The InChIKey is MVYGDWBBZQDHJZ-QMRVJPDPSA-N. The full InChI is InChI=1S/C15H27NO2.C2H6/c1-14-7-6-9-15(17-3)8-4-5-10-16(2)11-12-18-13-14;1-2/h4,7-8,15H,5-6,9-13H2,1-3H3;1-2H3/b8-4+,14-7-;.
What are the key properties of ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene?
ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene has a molecular weight of 283.46 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene is sourced from PubChem (CID 144515564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).