9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol

C15H27NO3 — CID 78044106

IUPAC9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
SMILESCOC1C=CCCNCCOCC(C)=CC(C)C1O
InChIInChI=1S/C15H27NO3/c1-12-10-13(2)15(17)14(18-3)6-4-5-7-16-8-9-19-11-12/h4,6,10,13-17H,5,7-9,11H2,1-3H3
InChIKeyBHHNBCJLSNHJQI-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.51
Rot. Bonds1

About 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol

9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol (PubChem CID 78044106) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol.

Molecular Properties

Compound Name9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
PubChem CID78044106
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
SMILESCOC1C=CCCNCCOCC(C)=CC(C)C1O
InChIInChI=1S/C15H27NO3/c1-12-10-13(2)15(17)14(18-3)6-4-5-7-16-8-9-19-11-12/h4,6,10,13-17H,5,7-9,11H2,1-3H3
InChIKeyBHHNBCJLSNHJQI-UHFFFAOYSA-N
XLogP1.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7E,9S,10S,11R,12Z)-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 71236048
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
CID 71236084
(7E,9S,10S,11R,12Z)-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 71236086
(7E,9S,10S,11R,12Z)-9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 71236090
(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236092
(4S,5R,6Z)-8-[2-(dimethylamino)ethoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-ol
CID 71481269
8-[2-(Dimethylamino)ethoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-ol
CID 77987204
9-Methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 78044085
10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
CID 78044104
9-Methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 78044109
7-Methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 78044110
(3S,4S,5R,6Z)-8-[2-(dimethylamino)ethoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-ol
CID 89394326

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol?
The IUPAC name of 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol (CID 78044106) is 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol.
What is the SMILES notation for 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol?
The canonical SMILES for 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol is COC1C=CCCNCCOCC(C)=CC(C)C1O.
What is the InChIKey of 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol?
The InChIKey is BHHNBCJLSNHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12-10-13(2)15(17)14(18-3)6-4-5-7-16-8-9-19-11-12/h4,6,10,13-17H,5,7-9,11H2,1-3H3.
What are the key properties of 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol?
9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol has a molecular weight of 269.38 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol is sourced from PubChem (CID 78044106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).