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

C16H29NO3 — CID 78044109

IUPAC9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
SMILESCOC1C=CCCN(C)CCOCC(C)=CC(C)C1O
InChIInChI=1S/C16H29NO3/c1-13-11-14(2)16(18)15(19-4)7-5-6-8-17(3)9-10-20-12-13/h5,7,11,14-16,18H,6,8-10,12H2,1-4H3
InChIKeyIPTXAHYVVKYDOK-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.85
Rot. Bonds1

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

9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol (PubChem CID 78044109) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol.

Molecular Properties

Compound Name9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
PubChem CID78044109
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
SMILESCOC1C=CCCN(C)CCOCC(C)=CC(C)C1O
InChIInChI=1S/C16H29NO3/c1-13-11-14(2)16(18)15(19-4)7-5-6-8-17(3)9-10-20-12-13/h5,7,11,14-16,18H,6,8-10,12H2,1-4H3
InChIKeyIPTXAHYVVKYDOK-UHFFFAOYSA-N
XLogP1.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol with MolForge

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Launch Full Analysis

Related Compounds

(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
(7E,9S,10S,11R,12Z)-9-methoxy-5,11,13-trimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 71236102
(3Z,5R,6S,7S,8E)-1-ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236103
(3Z,5R,6S,7S,8E)-7-methoxy-1,3,5-trimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 71236125
(4S,5R,6Z)-8-[2-(dimethylamino)ethoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-ol
CID 71481269
1-[(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-4-yl]ethanone
CID 71487962
8-[2-(Dimethylamino)ethoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-ol
CID 77987204
1-(10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-4-yl)ethanone
CID 77990177
9-Methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol
CID 78044106
9-Methoxy-5,11,13-trimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
CID 78044119
1-Ethyl-7-methoxy-3,5-dimethyl-1-azacyclotetradeca-3,8-dien-6-ol
CID 78044120

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol?
The IUPAC name of 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol (CID 78044109) is 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol.
What is the SMILES notation for 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol?
The canonical SMILES for 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol is COC1C=CCCN(C)CCOCC(C)=CC(C)C1O.
What is the InChIKey of 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol?
The InChIKey is IPTXAHYVVKYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13-11-14(2)16(18)15(19-4)7-5-6-8-17(3)9-10-20-12-13/h5,7,11,14-16,18H,6,8-10,12H2,1-4H3.
What are the key properties of 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol?
9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol has a molecular weight of 283.41 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4,11,13-trimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-10-ol is sourced from PubChem (CID 78044109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).