(E)-1-(2-ethylhexoxy)tetracos-1-ene

C32H64O — CID 166757092

IUPAC(E)-1-(2-ethylhexoxy)tetracos-1-ene
SMILESCCCCCCCCCCCCCCCCCCCCCC/C=C/OCC(CC)CCCC
InChIInChI=1S/C32H64O/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-33-31-32(6-3)29-8-5-2/h28,30,32H,4-27,29,31H2,1-3H3/b30-28+
InChIKeySGMWPLXSFBYXSZ-SJCQXOIGSA-N
MW464.86 g/mol
LogP11.95
Rot. Bonds28

About (E)-1-(2-ethylhexoxy)tetracos-1-ene

(E)-1-(2-ethylhexoxy)tetracos-1-ene (PubChem CID 166757092) has the molecular formula C32H64O and a molecular weight of 464.86 g/mol. Its IUPAC name is (E)-1-(2-ethylhexoxy)tetracos-1-ene.

Molecular Properties

Compound Name(E)-1-(2-ethylhexoxy)tetracos-1-ene
PubChem CID166757092
Molecular FormulaC32H64O
Molecular Weight464.86 g/mol
Exact Mass464.50
IUPAC Name(E)-1-(2-ethylhexoxy)tetracos-1-ene
SMILESCCCCCCCCCCCCCCCCCCCCCC/C=C/OCC(CC)CCCC
InChIInChI=1S/C32H64O/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-33-31-32(6-3)29-8-5-2/h28,30,32H,4-27,29,31H2,1-3H3/b30-28+
InChIKeySGMWPLXSFBYXSZ-SJCQXOIGSA-N
XLogP11.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 511.95
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

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CID 123335431
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(E)-14-ethylnonadec-7-ene
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(E)-5,22-diethylhexacos-11-ene
CID 173194569
(E)-19-ethylhexacos-12-ene
CID 173194168
16-ethyldocos-10-ene
CID 91389222
2-ethylhexyl octadec-2-enoate
CID 91463457
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
11-(2-ethylhexoxymethylidene)tricosane
CID 151053053

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-ethylhexoxy)tetracos-1-ene?
The IUPAC name of (E)-1-(2-ethylhexoxy)tetracos-1-ene (CID 166757092) is (E)-1-(2-ethylhexoxy)tetracos-1-ene.
What is the SMILES notation for (E)-1-(2-ethylhexoxy)tetracos-1-ene?
The canonical SMILES for (E)-1-(2-ethylhexoxy)tetracos-1-ene is CCCCCCCCCCCCCCCCCCCCCC/C=C/OCC(CC)CCCC.
What is the InChIKey of (E)-1-(2-ethylhexoxy)tetracos-1-ene?
The InChIKey is SGMWPLXSFBYXSZ-SJCQXOIGSA-N. The full InChI is InChI=1S/C32H64O/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-33-31-32(6-3)29-8-5-2/h28,30,32H,4-27,29,31H2,1-3H3/b30-28+.
What are the key properties of (E)-1-(2-ethylhexoxy)tetracos-1-ene?
(E)-1-(2-ethylhexoxy)tetracos-1-ene has a molecular weight of 464.86 g/mol, XLogP of 11.95, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-ethylhexoxy)tetracos-1-ene is sourced from PubChem (CID 166757092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).