1,4-diethoxydecane

C14H30O2 — CID 140997951

IUPAC1,4-diethoxydecane
SMILESCCCCCCC(CCCOCC)OCC
InChIInChI=1S/C14H30O2/c1-4-7-8-9-11-14(16-6-3)12-10-13-15-5-2/h14H,4-13H2,1-3H3
InChIKeyAFEFFRDIVGLGNQ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.18
Rot. Bonds12

About 1,4-diethoxydecane

1,4-diethoxydecane (PubChem CID 140997951) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,4-diethoxydecane.

Molecular Properties

Compound Name1,4-diethoxydecane
PubChem CID140997951
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1,4-diethoxydecane
SMILESCCCCCCC(CCCOCC)OCC
InChIInChI=1S/C14H30O2/c1-4-7-8-9-11-14(16-6-3)12-10-13-15-5-2/h14H,4-13H2,1-3H3
InChIKeyAFEFFRDIVGLGNQ-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-diethoxydecane
CID 150917298
9-ethoxyoctadecane
CID 87148376
1-butoxy-6-ethoxynonane
CID 90996810
1-ethoxynonan-4-amine
CID 105129941
5-ethoxynonane
CID 91187482
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1,3-didecoxyundecane
CID 142711236
2-ethoxy-1-iododecane
CID 13149348
5-butoxy-1-ethoxyheptane
CID 57247506
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
1-(2-dodecoxydecoxy)dodecane
CID 175347971

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxydecane?
The IUPAC name of 1,4-diethoxydecane (CID 140997951) is 1,4-diethoxydecane.
What is the SMILES notation for 1,4-diethoxydecane?
The canonical SMILES for 1,4-diethoxydecane is CCCCCCC(CCCOCC)OCC.
What is the InChIKey of 1,4-diethoxydecane?
The InChIKey is AFEFFRDIVGLGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-4-7-8-9-11-14(16-6-3)12-10-13-15-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 1,4-diethoxydecane?
1,4-diethoxydecane has a molecular weight of 230.39 g/mol, XLogP of 4.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxydecane is sourced from PubChem (CID 140997951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).