2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol

C14H30O4 — CID 20681100

IUPAC2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol
SMILESCCOCC(CC)C(COCCO)OCC(C)C
InChIInChI=1S/C14H30O4/c1-5-13(10-16-6-2)14(11-17-8-7-15)18-9-12(3)4/h12-15H,5-11H2,1-4H3
InChIKeyRVWZEZRYJVSWMI-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.10
Rot. Bonds12

About 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol

2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol (PubChem CID 20681100) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol.

Molecular Properties

Compound Name2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol
PubChem CID20681100
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol
SMILESCCOCC(CC)C(COCCO)OCC(C)C
InChIInChI=1S/C14H30O4/c1-5-13(10-16-6-2)14(11-17-8-7-15)18-9-12(3)4/h12-15H,5-11H2,1-4H3
InChIKeyRVWZEZRYJVSWMI-UHFFFAOYSA-N
XLogP2.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 69383
CID 69383
CID 116123
CID 116123
CID 165650880
CID 165650880
CID 111478
CID 111478
CID 111487
CID 111487
CID 91948
CID 91948
CID 44145612
CID 44145612
CID 129823318
CID 129823318
CID 134969713
CID 134969713
CID 3057205
CID 3057205
CID 44151168
CID 44151168
CID 44151921
CID 44151921

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol?
The IUPAC name of 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol (CID 20681100) is 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol.
What is the SMILES notation for 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol?
The canonical SMILES for 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol is CCOCC(CC)C(COCCO)OCC(C)C.
What is the InChIKey of 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol?
The InChIKey is RVWZEZRYJVSWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-5-13(10-16-6-2)14(11-17-8-7-15)18-9-12(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol?
2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol has a molecular weight of 262.39 g/mol, XLogP of 2.10, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol is sourced from PubChem (CID 20681100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).