10,10-dimethoxy-9-methyloctacosane

C31H64O2 — CID 151883229

IUPAC10,10-dimethoxy-9-methyloctacosane
SMILESCCCCCCCCCCCCCCCCCCC(OC)(OC)C(C)CCCCCCCC
InChIInChI=1S/C31H64O2/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31(32-4,33-5)30(3)28-26-24-13-11-9-7-2/h30H,6-29H2,1-5H3
InChIKeySPDRXAFFOJOATQ-UHFFFAOYSA-N
MW468.85 g/mol
LogP11.01
Rot. Bonds27

About 10,10-dimethoxy-9-methyloctacosane

10,10-dimethoxy-9-methyloctacosane (PubChem CID 151883229) has the molecular formula C31H64O2 and a molecular weight of 468.85 g/mol. Its IUPAC name is 10,10-dimethoxy-9-methyloctacosane.

Molecular Properties

Compound Name10,10-dimethoxy-9-methyloctacosane
PubChem CID151883229
Molecular FormulaC31H64O2
Molecular Weight468.85 g/mol
Exact Mass468.49
IUPAC Name10,10-dimethoxy-9-methyloctacosane
SMILESCCCCCCCCCCCCCCCCCCC(OC)(OC)C(C)CCCCCCCC
InChIInChI=1S/C31H64O2/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31(32-4,33-5)30(3)28-26-24-13-11-9-7-2/h30H,6-29H2,1-5H3
InChIKeySPDRXAFFOJOATQ-UHFFFAOYSA-N
XLogP11.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.85
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 10,10-dimethoxy-9-methyloctacosane 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

7,7-dimethoxy-8-methylhexadecane
CID 150332936
10,10-dimethoxy-9-methylhenicosane
CID 150642222
5,5-dimethoxy-6-methyltetradecane
CID 150194841
4,4-dimethoxy-5-methyltridecanenitrile
CID 151093071
1,1,2,2-tetramethoxyoctane
CID 15697911
2-methoxy-2,3-dimethylundecane
CID 150941081
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
CID 150600164
4,4-dimethoxy-5-propyltridecane
CID 151317508
3-methoxy-3-methyldodecane
CID 150409844

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethoxy-9-methyloctacosane?
The IUPAC name of 10,10-dimethoxy-9-methyloctacosane (CID 151883229) is 10,10-dimethoxy-9-methyloctacosane.
What is the SMILES notation for 10,10-dimethoxy-9-methyloctacosane?
The canonical SMILES for 10,10-dimethoxy-9-methyloctacosane is CCCCCCCCCCCCCCCCCCC(OC)(OC)C(C)CCCCCCCC.
What is the InChIKey of 10,10-dimethoxy-9-methyloctacosane?
The InChIKey is SPDRXAFFOJOATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O2/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31(32-4,33-5)30(3)28-26-24-13-11-9-7-2/h30H,6-29H2,1-5H3.
What are the key properties of 10,10-dimethoxy-9-methyloctacosane?
10,10-dimethoxy-9-methyloctacosane has a molecular weight of 468.85 g/mol, XLogP of 11.01, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethoxy-9-methyloctacosane is sourced from PubChem (CID 151883229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).