4,4-diethoxytridec-1-ene

C17H34O2 — CID 150818454

IUPAC4,4-diethoxytridec-1-ene
SMILESC=CCC(CCCCCCCCC)(OCC)OCC
InChIInChI=1S/C17H34O2/c1-5-9-10-11-12-13-14-16-17(15-6-2,18-7-3)19-8-4/h6H,2,5,7-16H2,1,3-4H3
InChIKeyKJKCNRWXADKKRU-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.47
Rot. Bonds14

About 4,4-diethoxytridec-1-ene

4,4-diethoxytridec-1-ene (PubChem CID 150818454) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 4,4-diethoxytridec-1-ene.

Molecular Properties

Compound Name4,4-diethoxytridec-1-ene
PubChem CID150818454
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name4,4-diethoxytridec-1-ene
SMILESC=CCC(CCCCCCCCC)(OCC)OCC
InChIInChI=1S/C17H34O2/c1-5-9-10-11-12-13-14-16-17(15-6-2,18-7-3)19-8-4/h6H,2,5,7-16H2,1,3-4H3
InChIKeyKJKCNRWXADKKRU-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-diethoxyoctane
CID 89440562
3-ethoxy-3-methyldodec-1-ene
CID 160659750
5-ethenyl-5-ethoxytetradecane
CID 172806244
2,2-diethoxynonane
CID 89439020
4-chloro-4-prop-2-enylhexadec-1-ene
CID 88822813
3,3-diethoxy-1-propoxydodecane
CID 172848936
4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
CID 175561097
azane;4,4-dimethylhenicos-1-ene;hydrochloride
CID 174854097
1-but-1-enoxy-2,2-diethoxyundecane
CID 151268806
ruthenium;1,1,1-triethoxydecane
CID 157324278
non-1-ene-4,4-diol
CID 87592774
4-methyl-4-methylselanyldec-1-ene
CID 13321274

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxytridec-1-ene?
The IUPAC name of 4,4-diethoxytridec-1-ene (CID 150818454) is 4,4-diethoxytridec-1-ene.
What is the SMILES notation for 4,4-diethoxytridec-1-ene?
The canonical SMILES for 4,4-diethoxytridec-1-ene is C=CCC(CCCCCCCCC)(OCC)OCC.
What is the InChIKey of 4,4-diethoxytridec-1-ene?
The InChIKey is KJKCNRWXADKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-5-9-10-11-12-13-14-16-17(15-6-2,18-7-3)19-8-4/h6H,2,5,7-16H2,1,3-4H3.
What are the key properties of 4,4-diethoxytridec-1-ene?
4,4-diethoxytridec-1-ene has a molecular weight of 270.46 g/mol, XLogP of 5.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxytridec-1-ene is sourced from PubChem (CID 150818454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).