6,6-bis(ethoxymethyl)undecane

C17H36O2 — CID 89106537

IUPAC6,6-bis(ethoxymethyl)undecane
SMILESCCCCCC(CCCCC)(COCC)COCC
InChIInChI=1S/C17H36O2/c1-5-9-11-13-17(15-18-7-3,16-19-8-4)14-12-10-6-2/h5-16H2,1-4H3
InChIKeyKALMQZUWNDNUHO-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.21
Rot. Bonds14

About 6,6-bis(ethoxymethyl)undecane

6,6-bis(ethoxymethyl)undecane (PubChem CID 89106537) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 6,6-bis(ethoxymethyl)undecane.

Molecular Properties

Compound Name6,6-bis(ethoxymethyl)undecane
PubChem CID89106537
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name6,6-bis(ethoxymethyl)undecane
SMILESCCCCCC(CCCCC)(COCC)COCC
InChIInChI=1S/C17H36O2/c1-5-9-11-13-17(15-18-7-3,16-19-8-4)14-12-10-6-2/h5-16H2,1-4H3
InChIKeyKALMQZUWNDNUHO-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.21
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

4,4-bis(ethoxymethyl)heptane;5,5-bis(ethoxymethyl)nonane
CID 159037908
azane;1-ethoxy-2,2-dimethyldecane
CID 175176661
6,6-dipentylundecane
CID 19690398
9,9-dioctyloctadecane
CID 19690418
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
8-hexyl-8-pentylhexadecane
CID 521602
1-decoxy-2,2-bis(iodomethyl)-8-pentoxyoctane
CID 58491994
10,10-dibutylicosane
CID 151498539
8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane
CID 118527073
2-(5-butoxypentyl)-2-(octoxymethyl)propane-1,3-diol
CID 58492091
1-ethoxy-3-(5-tritiopentoxy)-2,2-bis(5-tritiopentoxymethyl)propane
CID 163506336

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(ethoxymethyl)undecane?
The IUPAC name of 6,6-bis(ethoxymethyl)undecane (CID 89106537) is 6,6-bis(ethoxymethyl)undecane.
What is the SMILES notation for 6,6-bis(ethoxymethyl)undecane?
The canonical SMILES for 6,6-bis(ethoxymethyl)undecane is CCCCCC(CCCCC)(COCC)COCC.
What is the InChIKey of 6,6-bis(ethoxymethyl)undecane?
The InChIKey is KALMQZUWNDNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-5-9-11-13-17(15-18-7-3,16-19-8-4)14-12-10-6-2/h5-16H2,1-4H3.
What are the key properties of 6,6-bis(ethoxymethyl)undecane?
6,6-bis(ethoxymethyl)undecane has a molecular weight of 272.47 g/mol, XLogP of 5.21, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(ethoxymethyl)undecane is sourced from PubChem (CID 89106537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).