1-hexadec-1-enoxyhexadec-1-ene

C32H62O — CID 57140599

IUPAC1-hexadec-1-enoxyhexadec-1-ene
SMILESCCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCC
InChIInChI=1S/C32H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32H,3-28H2,1-2H3
InChIKeyFYOYPNKQOLBKDB-UHFFFAOYSA-N
MW462.85 g/mol
LogP12.21
Rot. Bonds28

About 1-hexadec-1-enoxyhexadec-1-ene

1-hexadec-1-enoxyhexadec-1-ene (PubChem CID 57140599) has the molecular formula C32H62O and a molecular weight of 462.85 g/mol. Its IUPAC name is 1-hexadec-1-enoxyhexadec-1-ene.

Molecular Properties

Compound Name1-hexadec-1-enoxyhexadec-1-ene
PubChem CID57140599
Molecular FormulaC32H62O
Molecular Weight462.85 g/mol
Exact Mass462.48
IUPAC Name1-hexadec-1-enoxyhexadec-1-ene
SMILESCCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCC
InChIInChI=1S/C32H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32H,3-28H2,1-2H3
InChIKeyFYOYPNKQOLBKDB-UHFFFAOYSA-N
XLogP12.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 512.21
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

1-triacont-1-enoxytriacont-1-ene
CID 173373575
[(Z)-dec-1-enyl] formate
CID 10954216
(E)-1-methoxytridec-1-ene
CID 87204968
(Z)-1-methoxydec-1-ene
CID 10888349
1-hydroperoxyundec-1-ene
CID 140553152
(E)-1-methoxyoct-1-ene
CID 10964624
1-nona-1,3-dienoxynona-1,3-diene
CID 57138043
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
1-prop-1-enoxyhex-1-ene
CID 57015059
oct-1-enyl hypoiodite
CID 88820135
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of 1-hexadec-1-enoxyhexadec-1-ene?
The IUPAC name of 1-hexadec-1-enoxyhexadec-1-ene (CID 57140599) is 1-hexadec-1-enoxyhexadec-1-ene.
What is the SMILES notation for 1-hexadec-1-enoxyhexadec-1-ene?
The canonical SMILES for 1-hexadec-1-enoxyhexadec-1-ene is CCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCC.
What is the InChIKey of 1-hexadec-1-enoxyhexadec-1-ene?
The InChIKey is FYOYPNKQOLBKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32H,3-28H2,1-2H3.
What are the key properties of 1-hexadec-1-enoxyhexadec-1-ene?
1-hexadec-1-enoxyhexadec-1-ene has a molecular weight of 462.85 g/mol, XLogP of 12.21, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadec-1-enoxyhexadec-1-ene is sourced from PubChem (CID 57140599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).