3,3-bis(ethenoxymethyl)tetradecane

C20H38O2 — CID 134531183

IUPAC3,3-bis(ethenoxymethyl)tetradecane
SMILESC=COCC(CC)(CCCCCCCCCCC)COC=C
InChIInChI=1S/C20H38O2/c1-5-9-10-11-12-13-14-15-16-17-20(6-2,18-21-7-3)19-22-8-4/h7-8H,3-6,9-19H2,1-2H3
InChIKeyTZEIBCZXGHTORB-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.62
Rot. Bonds17

About 3,3-bis(ethenoxymethyl)tetradecane

3,3-bis(ethenoxymethyl)tetradecane (PubChem CID 134531183) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 3,3-bis(ethenoxymethyl)tetradecane.

Molecular Properties

Compound Name3,3-bis(ethenoxymethyl)tetradecane
PubChem CID134531183
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name3,3-bis(ethenoxymethyl)tetradecane
SMILESC=COCC(CC)(CCCCCCCCCCC)COC=C
InChIInChI=1S/C20H38O2/c1-5-9-10-11-12-13-14-15-16-17-20(6-2,18-21-7-3)19-22-8-4/h7-8H,3-6,9-19H2,1-2H3
InChIKeyTZEIBCZXGHTORB-UHFFFAOYSA-N
XLogP6.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-bis(ethenoxymethyl)hexadecane
CID 126727088
4,4-bis(ethenoxymethyl)-2-methyltridecane
CID 126727076
1-ethenoxy-2,2-dimethyldecane
CID 19077777
7-butyl-7-ethyltetradecane
CID 174665936
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
1-ethenoxytriacontane
CID 14647805
10,10-dibutylicosane
CID 151498539
3,3-bis(bromomethyl)pentadecane
CID 79455553
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(ethenoxymethyl)tetradecane?
The IUPAC name of 3,3-bis(ethenoxymethyl)tetradecane (CID 134531183) is 3,3-bis(ethenoxymethyl)tetradecane.
What is the SMILES notation for 3,3-bis(ethenoxymethyl)tetradecane?
The canonical SMILES for 3,3-bis(ethenoxymethyl)tetradecane is C=COCC(CC)(CCCCCCCCCCC)COC=C.
What is the InChIKey of 3,3-bis(ethenoxymethyl)tetradecane?
The InChIKey is TZEIBCZXGHTORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-5-9-10-11-12-13-14-15-16-17-20(6-2,18-21-7-3)19-22-8-4/h7-8H,3-6,9-19H2,1-2H3.
What are the key properties of 3,3-bis(ethenoxymethyl)tetradecane?
3,3-bis(ethenoxymethyl)tetradecane has a molecular weight of 310.52 g/mol, XLogP of 6.62, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(ethenoxymethyl)tetradecane is sourced from PubChem (CID 134531183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).