1-[2-(3-methylbutoxy)ethoxy]tetradecane

C21H44O2 — CID 59344673

IUPAC1-[2-(3-methylbutoxy)ethoxy]tetradecane
SMILESCCCCCCCCCCCCCCOCCOCCC(C)C
InChIInChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22-19-20-23-18-16-21(2)3/h21H,4-20H2,1-3H3
InChIKeySHNIVTMLQHSWRT-UHFFFAOYSA-N
MW328.58 g/mol
LogP6.77
Rot. Bonds19

About 1-[2-(3-methylbutoxy)ethoxy]tetradecane

1-[2-(3-methylbutoxy)ethoxy]tetradecane (PubChem CID 59344673) has the molecular formula C21H44O2 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethoxy]tetradecane.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethoxy]tetradecane
PubChem CID59344673
Molecular FormulaC21H44O2
Molecular Weight328.58 g/mol
Exact Mass328.33
IUPAC Name1-[2-(3-methylbutoxy)ethoxy]tetradecane
SMILESCCCCCCCCCCCCCCOCCOCCC(C)C
InChIInChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22-19-20-23-18-16-21(2)3/h21H,4-20H2,1-3H3
InChIKeySHNIVTMLQHSWRT-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 56.77
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-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-(3-methylbutylperoxy)hexane
CID 87872309
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-nonoxyethoxy)nonane
CID 87982931
hexadecyl 4-[2-(3-methylbutoxy)ethoxy]butanoate
CID 121470078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethoxy]tetradecane?
The IUPAC name of 1-[2-(3-methylbutoxy)ethoxy]tetradecane (CID 59344673) is 1-[2-(3-methylbutoxy)ethoxy]tetradecane.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethoxy]tetradecane?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethoxy]tetradecane is CCCCCCCCCCCCCCOCCOCCC(C)C.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethoxy]tetradecane?
The InChIKey is SHNIVTMLQHSWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22-19-20-23-18-16-21(2)3/h21H,4-20H2,1-3H3.
What are the key properties of 1-[2-(3-methylbutoxy)ethoxy]tetradecane?
1-[2-(3-methylbutoxy)ethoxy]tetradecane has a molecular weight of 328.58 g/mol, XLogP of 6.77, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethoxy]tetradecane is sourced from PubChem (CID 59344673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).