11-(butoxymethyl)tricosane

C28H58O — CID 87842016

IUPAC11-(butoxymethyl)tricosane
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COCCCC
InChIInChI=1S/C28H58O/c1-4-7-10-12-14-16-17-19-21-23-25-28(27-29-26-9-6-3)24-22-20-18-15-13-11-8-5-2/h28H,4-27H2,1-3H3
InChIKeyRQOQEFHIINOYMA-UHFFFAOYSA-N
MW410.77 g/mol
LogP10.26
Rot. Bonds25

About 11-(butoxymethyl)tricosane

11-(butoxymethyl)tricosane (PubChem CID 87842016) has the molecular formula C28H58O and a molecular weight of 410.77 g/mol. Its IUPAC name is 11-(butoxymethyl)tricosane.

Molecular Properties

Compound Name11-(butoxymethyl)tricosane
PubChem CID87842016
Molecular FormulaC28H58O
Molecular Weight410.77 g/mol
Exact Mass410.45
IUPAC Name11-(butoxymethyl)tricosane
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)COCCCC
InChIInChI=1S/C28H58O/c1-4-7-10-12-14-16-17-19-21-23-25-28(27-29-26-9-6-3)24-22-20-18-15-13-11-8-5-2/h28H,4-27H2,1-3H3
InChIKeyRQOQEFHIINOYMA-UHFFFAOYSA-N
XLogP10.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.77
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(butoxymethyl)tricosane?
The IUPAC name of 11-(butoxymethyl)tricosane (CID 87842016) is 11-(butoxymethyl)tricosane.
What is the SMILES notation for 11-(butoxymethyl)tricosane?
The canonical SMILES for 11-(butoxymethyl)tricosane is CCCCCCCCCCCCC(CCCCCCCCCC)COCCCC.
What is the InChIKey of 11-(butoxymethyl)tricosane?
The InChIKey is RQOQEFHIINOYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O/c1-4-7-10-12-14-16-17-19-21-23-25-28(27-29-26-9-6-3)24-22-20-18-15-13-11-8-5-2/h28H,4-27H2,1-3H3.
What are the key properties of 11-(butoxymethyl)tricosane?
11-(butoxymethyl)tricosane has a molecular weight of 410.77 g/mol, XLogP of 10.26, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(butoxymethyl)tricosane is sourced from PubChem (CID 87842016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).