1-ethenoxytriacontane

C32H64O — CID 14647805

IUPAC1-ethenoxytriacontane
SMILESC=COCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H64O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-4-2/h4H,2-3,5-32H2,1H3
InChIKeyIOULQJXHZDWYJB-UHFFFAOYSA-N
MW464.86 g/mol
LogP12.09
Rot. Bonds30

About 1-ethenoxytriacontane

1-ethenoxytriacontane (PubChem CID 14647805) has the molecular formula C32H64O and a molecular weight of 464.86 g/mol. Its IUPAC name is 1-ethenoxytriacontane.

Molecular Properties

Compound Name1-ethenoxytriacontane
PubChem CID14647805
Molecular FormulaC32H64O
Molecular Weight464.86 g/mol
Exact Mass464.50
IUPAC Name1-ethenoxytriacontane
SMILESC=COCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H64O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-4-2/h4H,2-3,5-32H2,1H3
InChIKeyIOULQJXHZDWYJB-UHFFFAOYSA-N
XLogP12.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 512.09
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

1,4-bis(ethenoxy)butane;butane
CID 158192522
1-ethenoxyhexane;hexan-1-amine
CID 88695112
5-ethenoxy-N,N-dipentylpentan-1-amine
CID 139652992
1-ethenoxybutane;hydrate
CID 174447139
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
1-ethenoxyoctadecane;furan-2,5-dione
CID 86676835
1-(2-ethenoxyethylsulfanyl)heptane
CID 102248160
dodecyl N-(4-ethenoxybutyl)carbamate
CID 54048350
1-ethenylperoxyoctane
CID 71433457

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxytriacontane?
The IUPAC name of 1-ethenoxytriacontane (CID 14647805) is 1-ethenoxytriacontane.
What is the SMILES notation for 1-ethenoxytriacontane?
The canonical SMILES for 1-ethenoxytriacontane is C=COCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethenoxytriacontane?
The InChIKey is IOULQJXHZDWYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-4-2/h4H,2-3,5-32H2,1H3.
What are the key properties of 1-ethenoxytriacontane?
1-ethenoxytriacontane has a molecular weight of 464.86 g/mol, XLogP of 12.09, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxytriacontane is sourced from PubChem (CID 14647805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).