1-(3-ethoxypropoxy)tetradecane

C19H40O2 — CID 91693148

IUPAC1-(3-ethoxypropoxy)tetradecane
SMILESCCCCCCCCCCCCCCOCCCOCC
InChIInChI=1S/C19H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21-19-16-18-20-4-2/h3-19H2,1-2H3
InChIKeyWCQUANOJDBCKLD-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.13
Rot. Bonds18

About 1-(3-ethoxypropoxy)tetradecane

1-(3-ethoxypropoxy)tetradecane (PubChem CID 91693148) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-(3-ethoxypropoxy)tetradecane.

Molecular Properties

Compound Name1-(3-ethoxypropoxy)tetradecane
PubChem CID91693148
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name1-(3-ethoxypropoxy)tetradecane
SMILESCCCCCCCCCCCCCCOCCCOCC
InChIInChI=1S/C19H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21-19-16-18-20-4-2/h3-19H2,1-2H3
InChIKeyWCQUANOJDBCKLD-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.13
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-(3-octoxypropoxy)nonane
CID 123372111
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropoxy)tetradecane?
The IUPAC name of 1-(3-ethoxypropoxy)tetradecane (CID 91693148) is 1-(3-ethoxypropoxy)tetradecane.
What is the SMILES notation for 1-(3-ethoxypropoxy)tetradecane?
The canonical SMILES for 1-(3-ethoxypropoxy)tetradecane is CCCCCCCCCCCCCCOCCCOCC.
What is the InChIKey of 1-(3-ethoxypropoxy)tetradecane?
The InChIKey is WCQUANOJDBCKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21-19-16-18-20-4-2/h3-19H2,1-2H3.
What are the key properties of 1-(3-ethoxypropoxy)tetradecane?
1-(3-ethoxypropoxy)tetradecane has a molecular weight of 300.53 g/mol, XLogP of 6.13, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropoxy)tetradecane is sourced from PubChem (CID 91693148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).