9-(ethenoxymethyl)tricosane

C26H52O — CID 54258873

IUPAC9-(ethenoxymethyl)tricosane
SMILESC=COCC(CCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C26H52O/c1-4-7-9-11-13-14-15-16-17-18-20-22-24-26(25-27-6-3)23-21-19-12-10-8-5-2/h6,26H,3-5,7-25H2,1-2H3
InChIKeyRCBAWZQRLZHPBF-UHFFFAOYSA-N
MW380.70 g/mol
LogP9.60
Rot. Bonds23

About 9-(ethenoxymethyl)tricosane

9-(ethenoxymethyl)tricosane (PubChem CID 54258873) has the molecular formula C26H52O and a molecular weight of 380.70 g/mol. Its IUPAC name is 9-(ethenoxymethyl)tricosane.

Molecular Properties

Compound Name9-(ethenoxymethyl)tricosane
PubChem CID54258873
Molecular FormulaC26H52O
Molecular Weight380.70 g/mol
Exact Mass380.40
IUPAC Name9-(ethenoxymethyl)tricosane
SMILESC=COCC(CCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C26H52O/c1-4-7-9-11-13-14-15-16-17-18-20-22-24-26(25-27-6-3)23-21-19-12-10-8-5-2/h6,26H,3-5,7-25H2,1-2H3
InChIKeyRCBAWZQRLZHPBF-UHFFFAOYSA-N
XLogP9.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.70
LogP ≤ 59.60
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

CID 61004
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CID 296393
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CID 25002
CID 25002
CID 87842016
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CID 15032029
CID 15032029
CID 20403371
CID 20403371
CID 86172840
CID 86172840
CID 101834930
CID 101834930
CID 85776278
CID 85776278
CID 87840220
CID 87840220
CID 90318820
CID 90318820
CID 141117770
CID 141117770

Frequently Asked Questions

What is the IUPAC name of 9-(ethenoxymethyl)tricosane?
The IUPAC name of 9-(ethenoxymethyl)tricosane (CID 54258873) is 9-(ethenoxymethyl)tricosane.
What is the SMILES notation for 9-(ethenoxymethyl)tricosane?
The canonical SMILES for 9-(ethenoxymethyl)tricosane is C=COCC(CCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of 9-(ethenoxymethyl)tricosane?
The InChIKey is RCBAWZQRLZHPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O/c1-4-7-9-11-13-14-15-16-17-18-20-22-24-26(25-27-6-3)23-21-19-12-10-8-5-2/h6,26H,3-5,7-25H2,1-2H3.
What are the key properties of 9-(ethenoxymethyl)tricosane?
9-(ethenoxymethyl)tricosane has a molecular weight of 380.70 g/mol, XLogP of 9.60, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethenoxymethyl)tricosane is sourced from PubChem (CID 54258873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).