2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol

C14H25NO2 — CID 71227877

IUPAC2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
SMILESCC1(C)CCNCC=CCC(O)CC=CCO1
InChIInChI=1S/C14H25NO2/c1-14(2)9-11-15-10-5-3-7-13(16)8-4-6-12-17-14/h3-6,13,15-16H,7-12H2,1-2H3
InChIKeyWPYWTCNHJCEINK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.03
Rot. Bonds

About 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol

2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol (PubChem CID 71227877) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
PubChem CID71227877
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol
SMILESCC1(C)CCNCC=CCC(O)CC=CCO1
InChIInChI=1S/C14H25NO2/c1-14(2)9-11-15-10-5-3-7-13(16)8-4-6-12-17-14/h3-6,13,15-16H,7-12H2,1-2H3
InChIKeyWPYWTCNHJCEINK-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol?
The IUPAC name of 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol (CID 71227877) is 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol.
What is the SMILES notation for 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol?
The canonical SMILES for 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol is CC1(C)CCNCC=CCC(O)CC=CCO1.
What is the InChIKey of 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol?
The InChIKey is WPYWTCNHJCEINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2)9-11-15-10-5-3-7-13(16)8-4-6-12-17-14/h3-6,13,15-16H,7-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol?
2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol has a molecular weight of 239.36 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-10-ol is sourced from PubChem (CID 71227877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).