1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane

C14H30O2 — CID 89254988

IUPAC1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
SMILESCCOCCC(CC)(CC)COC(C)(C)C
InChIInChI=1S/C14H30O2/c1-7-14(8-2,10-11-15-9-3)12-16-13(4,5)6/h7-12H2,1-6H3
InChIKeyRGLWGZSNGKTXAJ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.03
Rot. Bonds8

About 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane

1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane (PubChem CID 89254988) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane.

Molecular Properties

Compound Name1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
PubChem CID89254988
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
SMILESCCOCCC(CC)(CC)COC(C)(C)C
InChIInChI=1S/C14H30O2/c1-7-14(8-2,10-11-15-9-3)12-16-13(4,5)6/h7-12H2,1-6H3
InChIKeyRGLWGZSNGKTXAJ-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane?
The IUPAC name of 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane (CID 89254988) is 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane.
What is the SMILES notation for 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane?
The canonical SMILES for 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane is CCOCCC(CC)(CC)COC(C)(C)C.
What is the InChIKey of 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane?
The InChIKey is RGLWGZSNGKTXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-7-14(8-2,10-11-15-9-3)12-16-13(4,5)6/h7-12H2,1-6H3.
What are the key properties of 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane?
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane has a molecular weight of 230.39 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane is sourced from PubChem (CID 89254988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).