10-(butoxymethyl)henicosane

C26H54O — CID 87840055

IUPAC10-(butoxymethyl)henicosane
SMILESCCCCCCCCCCCC(CCCCCCCCC)COCCCC
InChIInChI=1S/C26H54O/c1-4-7-10-12-14-15-17-19-21-23-26(25-27-24-9-6-3)22-20-18-16-13-11-8-5-2/h26H,4-25H2,1-3H3
InChIKeyHMKUVYYRRKVAST-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.48
Rot. Bonds23

About 10-(butoxymethyl)henicosane

10-(butoxymethyl)henicosane (PubChem CID 87840055) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 10-(butoxymethyl)henicosane.

Molecular Properties

Compound Name10-(butoxymethyl)henicosane
PubChem CID87840055
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name10-(butoxymethyl)henicosane
SMILESCCCCCCCCCCCC(CCCCCCCCC)COCCCC
InChIInChI=1S/C26H54O/c1-4-7-10-12-14-15-17-19-21-23-26(25-27-24-9-6-3)22-20-18-16-13-11-8-5-2/h26H,4-25H2,1-3H3
InChIKeyHMKUVYYRRKVAST-UHFFFAOYSA-N
XLogP9.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-(butoxymethyl)henicosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
4-(butoxymethyl)nonane
CID 87066766
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
2-(2-tetradecyloctadecoxy)ethanamine
CID 139605045
2-(2-dodecylhexadecoxy)ethanamine
CID 139605053
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
2-(2-hexyldecoxy)ethanamine
CID 139605050
5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine
CID 170054282
2-(2-propylnonoxy)ethanol
CID 168837428

Frequently Asked Questions

What is the IUPAC name of 10-(butoxymethyl)henicosane?
The IUPAC name of 10-(butoxymethyl)henicosane (CID 87840055) is 10-(butoxymethyl)henicosane.
What is the SMILES notation for 10-(butoxymethyl)henicosane?
The canonical SMILES for 10-(butoxymethyl)henicosane is CCCCCCCCCCCC(CCCCCCCCC)COCCCC.
What is the InChIKey of 10-(butoxymethyl)henicosane?
The InChIKey is HMKUVYYRRKVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-4-7-10-12-14-15-17-19-21-23-26(25-27-24-9-6-3)22-20-18-16-13-11-8-5-2/h26H,4-25H2,1-3H3.
What are the key properties of 10-(butoxymethyl)henicosane?
10-(butoxymethyl)henicosane has a molecular weight of 382.72 g/mol, XLogP of 9.48, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(butoxymethyl)henicosane is sourced from PubChem (CID 87840055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).