11-methoxy-11-nonyltetracosane

C34H70O — CID 159441841

IUPAC11-methoxy-11-nonyltetracosane
SMILESCCCCCCCCCCCCCC(CCCCCCCCC)(CCCCCCCCCC)OC
InChIInChI=1S/C34H70O/c1-5-8-11-14-17-19-20-21-24-27-30-33-34(35-4,31-28-25-22-16-13-10-7-3)32-29-26-23-18-15-12-9-6-2/h5-33H2,1-4H3
InChIKeyUMNOIKSZIFNVNK-UHFFFAOYSA-N
MW494.93 g/mol
LogP12.74
Rot. Bonds30

About 11-methoxy-11-nonyltetracosane

11-methoxy-11-nonyltetracosane (PubChem CID 159441841) has the molecular formula C34H70O and a molecular weight of 494.93 g/mol. Its IUPAC name is 11-methoxy-11-nonyltetracosane.

Molecular Properties

Compound Name11-methoxy-11-nonyltetracosane
PubChem CID159441841
Molecular FormulaC34H70O
Molecular Weight494.93 g/mol
Exact Mass494.54
IUPAC Name11-methoxy-11-nonyltetracosane
SMILESCCCCCCCCCCCCCC(CCCCCCCCC)(CCCCCCCCCC)OC
InChIInChI=1S/C34H70O/c1-5-8-11-14-17-19-20-21-24-27-30-33-34(35-4,31-28-25-22-16-13-10-7-3)32-29-26-23-18-15-12-9-6-2/h5-33H2,1-4H3
InChIKeyUMNOIKSZIFNVNK-UHFFFAOYSA-N
XLogP12.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11-methoxy-11-nonyltetracosane 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

10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690
3-ethyl-3-methoxydecane
CID 89190150
3-methoxy-3-propyloctan-1-ol
CID 142753036
1,1,1-trimethoxytridecane
CID 102481821
14-tridecyloctacosan-14-yloxysilane
CID 173060340
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
10-decoxy-10-nonylnonadecane
CID 150430521
3,3-dimethoxynonane
CID 14785776
3-ethyl-3-hydroperoxytridecane
CID 140733477

Frequently Asked Questions

What is the IUPAC name of 11-methoxy-11-nonyltetracosane?
The IUPAC name of 11-methoxy-11-nonyltetracosane (CID 159441841) is 11-methoxy-11-nonyltetracosane.
What is the SMILES notation for 11-methoxy-11-nonyltetracosane?
The canonical SMILES for 11-methoxy-11-nonyltetracosane is CCCCCCCCCCCCCC(CCCCCCCCC)(CCCCCCCCCC)OC.
What is the InChIKey of 11-methoxy-11-nonyltetracosane?
The InChIKey is UMNOIKSZIFNVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O/c1-5-8-11-14-17-19-20-21-24-27-30-33-34(35-4,31-28-25-22-16-13-10-7-3)32-29-26-23-18-15-12-9-6-2/h5-33H2,1-4H3.
What are the key properties of 11-methoxy-11-nonyltetracosane?
11-methoxy-11-nonyltetracosane has a molecular weight of 494.93 g/mol, XLogP of 12.74, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-11-nonyltetracosane is sourced from PubChem (CID 159441841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).