10,10-dimethoxy-9-methylhenicosane

C24H50O2 — CID 150642222

IUPAC10,10-dimethoxy-9-methylhenicosane
SMILESCCCCCCCCCCCC(OC)(OC)C(C)CCCCCCCC
InChIInChI=1S/C24H50O2/c1-6-8-10-12-14-15-16-18-20-22-24(25-4,26-5)23(3)21-19-17-13-11-9-7-2/h23H,6-22H2,1-5H3
InChIKeyJADPKFAWXYVBKB-UHFFFAOYSA-N
MW370.66 g/mol
LogP8.28
Rot. Bonds20

About 10,10-dimethoxy-9-methylhenicosane

10,10-dimethoxy-9-methylhenicosane (PubChem CID 150642222) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 10,10-dimethoxy-9-methylhenicosane.

Molecular Properties

Compound Name10,10-dimethoxy-9-methylhenicosane
PubChem CID150642222
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name10,10-dimethoxy-9-methylhenicosane
SMILESCCCCCCCCCCCC(OC)(OC)C(C)CCCCCCCC
InChIInChI=1S/C24H50O2/c1-6-8-10-12-14-15-16-18-20-22-24(25-4,26-5)23(3)21-19-17-13-11-9-7-2/h23H,6-22H2,1-5H3
InChIKeyJADPKFAWXYVBKB-UHFFFAOYSA-N
XLogP8.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 58.28
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-methylhenicosane 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

10,10-dimethoxy-9-methyloctacosane
CID 151883229
7,7-dimethoxy-8-methylhexadecane
CID 150332936
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-methylhenicosane?
The IUPAC name of 10,10-dimethoxy-9-methylhenicosane (CID 150642222) is 10,10-dimethoxy-9-methylhenicosane.
What is the SMILES notation for 10,10-dimethoxy-9-methylhenicosane?
The canonical SMILES for 10,10-dimethoxy-9-methylhenicosane is CCCCCCCCCCCC(OC)(OC)C(C)CCCCCCCC.
What is the InChIKey of 10,10-dimethoxy-9-methylhenicosane?
The InChIKey is JADPKFAWXYVBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-6-8-10-12-14-15-16-18-20-22-24(25-4,26-5)23(3)21-19-17-13-11-9-7-2/h23H,6-22H2,1-5H3.
What are the key properties of 10,10-dimethoxy-9-methylhenicosane?
10,10-dimethoxy-9-methylhenicosane has a molecular weight of 370.66 g/mol, XLogP of 8.28, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethoxy-9-methylhenicosane is sourced from PubChem (CID 150642222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).