1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane

C14H29N3O4 — CID 176651826

IUPAC1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane
SMILESCCOCCOC(CCN=[N+]=[N-])C(C)C(C)OCCOC
InChIInChI=1S/C14H29N3O4/c1-5-19-9-11-21-14(6-7-16-17-15)12(2)13(3)20-10-8-18-4/h12-14H,5-11H2,1-4H3
InChIKeyQYMQSLPGRLRBPD-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.80
Rot. Bonds14

About 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane

1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane (PubChem CID 176651826) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane.

Molecular Properties

Compound Name1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane
PubChem CID176651826
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Name1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane
SMILESCCOCCOC(CCN=[N+]=[N-])C(C)C(C)OCCOC
InChIInChI=1S/C14H29N3O4/c1-5-19-9-11-21-14(6-7-16-17-15)12(2)13(3)20-10-8-18-4/h12-14H,5-11H2,1-4H3
InChIKeyQYMQSLPGRLRBPD-UHFFFAOYSA-N
XLogP2.80
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87172794
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide
CID 158766699
ethyl (2R)-7-azido-2-(2-methoxyethoxymethoxy)-5-oxoheptanoate
CID 91560500
1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene
CID 159203067
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
3-(2-ethoxyethoxy)butan-2-amine
CID 61354172

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane?
The IUPAC name of 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane (CID 176651826) is 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane.
What is the SMILES notation for 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane?
The canonical SMILES for 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane is CCOCCOC(CCN=[N+]=[N-])C(C)C(C)OCCOC.
What is the InChIKey of 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane?
The InChIKey is QYMQSLPGRLRBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-5-19-9-11-21-14(6-7-16-17-15)12(2)13(3)20-10-8-18-4/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane?
1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane has a molecular weight of 303.40 g/mol, XLogP of 2.80, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(2-ethoxyethoxy)-5-(2-methoxyethoxy)-4-methylhexane is sourced from PubChem (CID 176651826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).