5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane

C28H54O — CID 88798290

IUPAC5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane
SMILESC=C(OC(=C)C(CCCC)CCCCCCC)C(CCCC)CCCCCCC
InChIInChI=1S/C28H54O/c1-7-11-15-17-19-23-27(21-13-9-3)25(5)29-26(6)28(22-14-10-4)24-20-18-16-12-8-2/h27-28H,5-24H2,1-4H3
InChIKeyPYYHVHLCHHPJFL-UHFFFAOYSA-N
MW406.74 g/mol
LogP10.36
Rot. Bonds22

About 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane

5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane (PubChem CID 88798290) has the molecular formula C28H54O and a molecular weight of 406.74 g/mol. Its IUPAC name is 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane.

Molecular Properties

Compound Name5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane
PubChem CID88798290
Molecular FormulaC28H54O
Molecular Weight406.74 g/mol
Exact Mass406.42
IUPAC Name5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane
SMILESC=C(OC(=C)C(CCCC)CCCCCCC)C(CCCC)CCCCCCC
InChIInChI=1S/C28H54O/c1-7-11-15-17-19-23-27(21-13-9-3)25(5)29-26(6)28(22-14-10-4)24-20-18-16-12-8-2/h27-28H,5-24H2,1-4H3
InChIKeyPYYHVHLCHHPJFL-UHFFFAOYSA-N
XLogP10.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3,7,11,15-Tetramethylhexadec-1-en-2-ol
CID 85531716
trans-3-Hexyl-2-methylene-4-tridecyloxetane
CID 86289021
6-Fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene
CID 174318861
7-Ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
CID 14622045
2-Non-1-en-2-yloxynon-1-ene
CID 17805539
11-Ethoxy-8-propylundec-1-ene
CID 17825249
1-Octadecoxyethenylcyclohexane
CID 17888800
16-Methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene
CID 18517299
2-Tridec-1-en-2-yloxytridec-1-ene
CID 19091118
3-[2-(3-Ethenyl-2-methylundecan-2-yl)oxypropan-2-yl]undec-1-ene
CID 19429088
3-Methyl-2-(3-methylicos-1-en-2-yloxy)icos-1-ene
CID 21453039
3-Ethyl-2-(3-ethyloctadec-1-en-2-yloxy)octadec-1-ene
CID 21453040

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane?
The IUPAC name of 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane (CID 88798290) is 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane.
What is the SMILES notation for 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane?
The canonical SMILES for 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane is C=C(OC(=C)C(CCCC)CCCCCCC)C(CCCC)CCCCCCC.
What is the InChIKey of 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane?
The InChIKey is PYYHVHLCHHPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O/c1-7-11-15-17-19-23-27(21-13-9-3)25(5)29-26(6)28(22-14-10-4)24-20-18-16-12-8-2/h27-28H,5-24H2,1-4H3.
What are the key properties of 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane?
5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane has a molecular weight of 406.74 g/mol, XLogP of 10.36, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-butyldec-1-en-2-yloxy)ethenyl]dodecane is sourced from PubChem (CID 88798290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).