ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane

C17H36O4 — CID 143374558

IUPACethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane
SMILESC=C(OCCOCCOC)C1CCOC(C)C1.CC.CC
InChIInChI=1S/C13H24O4.2C2H6/c1-11-10-13(4-5-16-11)12(2)17-9-8-15-7-6-14-3;2*1-2/h11,13H,2,4-10H2,1,3H3;2*1-2H3
InChIKeyMNDDKVUVPZZERZ-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.05
Rot. Bonds8

About ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane

ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane (PubChem CID 143374558) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane.

Molecular Properties

Compound Nameethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane
PubChem CID143374558
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Nameethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane
SMILESC=C(OCCOCCOC)C1CCOC(C)C1.CC.CC
InChIInChI=1S/C13H24O4.2C2H6/c1-11-10-13(4-5-16-11)12(2)17-9-8-15-7-6-14-3;2*1-2/h11,13H,2,4-10H2,1,3H3;2*1-2H3
InChIKeyMNDDKVUVPZZERZ-UHFFFAOYSA-N
XLogP4.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-4-[1-(2-methyloxan-4-yl)ethenoxymethyl]oxane
CID 142140596
2-Methyl-4-(non-1-en-2-yloxymethyl)oxane
CID 143295918
Butane;2-(3-methylpent-1-enoxymethyl)oxane
CID 161561768
3-(3-Ethylpent-1-en-2-yloxy)-2-(3-ethylpent-1-en-2-yloxymethyl)oxan-4-ol
CID 166943969
(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane
CID 167458888
4-[1-[2-(2-Methoxyethoxy)ethoxy]ethenyl]-2-methyloxane
CID 143374559
3-Methoxy-2,2-dimethyl-6-methylideneoxane
CID 153365137

Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane?
The IUPAC name of ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane (CID 143374558) is ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane.
What is the SMILES notation for ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane?
The canonical SMILES for ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane is C=C(OCCOCCOC)C1CCOC(C)C1.CC.CC.
What is the InChIKey of ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane?
The InChIKey is MNDDKVUVPZZERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4.2C2H6/c1-11-10-13(4-5-16-11)12(2)17-9-8-15-7-6-14-3;2*1-2/h11,13H,2,4-10H2,1,3H3;2*1-2H3.
What are the key properties of ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane?
ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane has a molecular weight of 304.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-[2-(2-methoxyethoxy)ethoxy]ethenyl]-2-methyloxane is sourced from PubChem (CID 143374558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).