5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene

C32H62O — CID 174486103

IUPAC5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene
SMILESCC=CCC(CCCCCCCCC)CCOCCC(CC=CC)CCCCCCCCC
InChIInChI=1S/C32H62O/c1-5-9-13-15-17-19-21-25-31(23-11-7-3)27-29-33-30-28-32(24-12-8-4)26-22-20-18-16-14-10-6-2/h7-8,11-12,31-32H,5-6,9-10,13-30H2,1-4H3
InChIKeyUGNMHNSMGIBCIZ-UHFFFAOYSA-N
MW462.85 g/mol
LogP11.23
Rot. Bonds26

About 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene

5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene (PubChem CID 174486103) has the molecular formula C32H62O and a molecular weight of 462.85 g/mol. Its IUPAC name is 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene.

Molecular Properties

Compound Name5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene
PubChem CID174486103
Molecular FormulaC32H62O
Molecular Weight462.85 g/mol
Exact Mass462.48
IUPAC Name5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene
SMILESCC=CCC(CCCCCCCCC)CCOCCC(CC=CC)CCCCCCCCC
InChIInChI=1S/C32H62O/c1-5-9-13-15-17-19-21-25-31(23-11-7-3)27-29-33-30-28-32(24-12-8-4)26-22-20-18-16-14-10-6-2/h7-8,11-12,31-32H,5-6,9-10,13-30H2,1-4H3
InChIKeyUGNMHNSMGIBCIZ-UHFFFAOYSA-N
XLogP11.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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6-propylhexadec-8-ene
CID 174779500
(E)-12-propylhexacos-9-ene
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CID 22044187
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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene?
The IUPAC name of 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene (CID 174486103) is 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene.
What is the SMILES notation for 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene?
The canonical SMILES for 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene is CC=CCC(CCCCCCCCC)CCOCCC(CC=CC)CCCCCCCCC.
What is the InChIKey of 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene?
The InChIKey is UGNMHNSMGIBCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O/c1-5-9-13-15-17-19-21-25-31(23-11-7-3)27-29-33-30-28-32(24-12-8-4)26-22-20-18-16-14-10-6-2/h7-8,11-12,31-32H,5-6,9-10,13-30H2,1-4H3.
What are the key properties of 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene?
5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene has a molecular weight of 462.85 g/mol, XLogP of 11.23, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-but-2-enyldodecoxy)ethyl]tetradec-2-ene is sourced from PubChem (CID 174486103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).