1-triacont-1-enoxytriacont-1-ene

C60H118O — CID 173373575

IUPAC1-triacont-1-enoxytriacont-1-ene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H118O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57-60H,3-56H2,1-2H3
InChIKeyZABPCKKTYNMLIO-UHFFFAOYSA-N
MW855.60 g/mol
LogP23.14
Rot. Bonds56

About 1-triacont-1-enoxytriacont-1-ene

1-triacont-1-enoxytriacont-1-ene (PubChem CID 173373575) has the molecular formula C60H118O and a molecular weight of 855.60 g/mol. Its IUPAC name is 1-triacont-1-enoxytriacont-1-ene.

Molecular Properties

Compound Name1-triacont-1-enoxytriacont-1-ene
PubChem CID173373575
Molecular FormulaC60H118O
Molecular Weight855.60 g/mol
Exact Mass854.92
IUPAC Name1-triacont-1-enoxytriacont-1-ene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H118O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57-60H,3-56H2,1-2H3
InChIKeyZABPCKKTYNMLIO-UHFFFAOYSA-N
XLogP23.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds56
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.60
LogP ≤ 523.14
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-hexadec-1-enoxyhexadec-1-ene
CID 57140599
[(Z)-dec-1-enyl] formate
CID 10954216
(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxytridec-1-ene
CID 87204968
1-hydroperoxyundec-1-ene
CID 140553152
(E)-1-methoxyoct-1-ene
CID 10964624
1-nona-1,3-dienoxynona-1,3-diene
CID 57138043
oct-1-enyl hypoiodite
CID 88820135
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
1-prop-1-enoxyhex-1-ene
CID 57015059
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of 1-triacont-1-enoxytriacont-1-ene?
The IUPAC name of 1-triacont-1-enoxytriacont-1-ene (CID 173373575) is 1-triacont-1-enoxytriacont-1-ene.
What is the SMILES notation for 1-triacont-1-enoxytriacont-1-ene?
The canonical SMILES for 1-triacont-1-enoxytriacont-1-ene is CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=COC=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-triacont-1-enoxytriacont-1-ene?
The InChIKey is ZABPCKKTYNMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H118O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57-60H,3-56H2,1-2H3.
What are the key properties of 1-triacont-1-enoxytriacont-1-ene?
1-triacont-1-enoxytriacont-1-ene has a molecular weight of 855.60 g/mol, XLogP of 23.14, 56 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triacont-1-enoxytriacont-1-ene is sourced from PubChem (CID 173373575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).