1-methoxy-2,12-dimethyldocosane

C25H52O — CID 91752253

IUPAC1-methoxy-2,12-dimethyldocosane
SMILESCCCCCCCCCCC(C)CCCCCCCCCC(C)COC
InChIInChI=1S/C25H52O/c1-5-6-7-8-9-11-14-17-20-24(2)21-18-15-12-10-13-16-19-22-25(3)23-26-4/h24-25H,5-23H2,1-4H3
InChIKeyMEHVCWKLNLDKDN-UHFFFAOYSA-N
MW368.69 g/mol
LogP8.95
Rot. Bonds21

About 1-methoxy-2,12-dimethyldocosane

1-methoxy-2,12-dimethyldocosane (PubChem CID 91752253) has the molecular formula C25H52O and a molecular weight of 368.69 g/mol. Its IUPAC name is 1-methoxy-2,12-dimethyldocosane.

Molecular Properties

Compound Name1-methoxy-2,12-dimethyldocosane
PubChem CID91752253
Molecular FormulaC25H52O
Molecular Weight368.69 g/mol
Exact Mass368.40
IUPAC Name1-methoxy-2,12-dimethyldocosane
SMILESCCCCCCCCCCC(C)CCCCCCCCCC(C)COC
InChIInChI=1S/C25H52O/c1-5-6-7-8-9-11-14-17-20-24(2)21-18-15-12-10-13-16-19-22-25(3)23-26-4/h24-25H,5-23H2,1-4H3
InChIKeyMEHVCWKLNLDKDN-UHFFFAOYSA-N
XLogP8.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxy-2,12-dimethyldocosane 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

1-methoxy-2-methyldecane
CID 13444249
1-methoxy-2,10,24-trimethylheptacosane
CID 86172880
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107
7,13-dimethylnonatriacontane
CID 91752073
7,13-dimethylhexacosane
CID 91751102
15-methylhentetracontane
CID 56936162
6-methylheptacosane
CID 22223776

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,12-dimethyldocosane?
The IUPAC name of 1-methoxy-2,12-dimethyldocosane (CID 91752253) is 1-methoxy-2,12-dimethyldocosane.
What is the SMILES notation for 1-methoxy-2,12-dimethyldocosane?
The canonical SMILES for 1-methoxy-2,12-dimethyldocosane is CCCCCCCCCCC(C)CCCCCCCCCC(C)COC.
What is the InChIKey of 1-methoxy-2,12-dimethyldocosane?
The InChIKey is MEHVCWKLNLDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O/c1-5-6-7-8-9-11-14-17-20-24(2)21-18-15-12-10-13-16-19-22-25(3)23-26-4/h24-25H,5-23H2,1-4H3.
What are the key properties of 1-methoxy-2,12-dimethyldocosane?
1-methoxy-2,12-dimethyldocosane has a molecular weight of 368.69 g/mol, XLogP of 8.95, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,12-dimethyldocosane is sourced from PubChem (CID 91752253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).