2-methyl-10-(11-methyldodecan-3-yloxy)dodecane

C26H54O — CID 158091351

IUPAC2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
SMILESCCC(CCCCCCCC(C)C)OC(CC)CCCCCCCC(C)C
InChIInChI=1S/C26H54O/c1-7-25(21-17-13-9-11-15-19-23(3)4)27-26(8-2)22-18-14-10-12-16-20-24(5)6/h23-26H,7-22H2,1-6H3
InChIKeyXXODFAFGTKGWOW-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.33
Rot. Bonds20

About 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane

2-methyl-10-(11-methyldodecan-3-yloxy)dodecane (PubChem CID 158091351) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane.

Molecular Properties

Compound Name2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
PubChem CID158091351
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
SMILESCCC(CCCCCCCC(C)C)OC(CC)CCCCCCCC(C)C
InChIInChI=1S/C26H54O/c1-7-25(21-17-13-9-11-15-19-23(3)4)27-26(8-2)22-18-14-10-12-16-20-24(5)6/h23-26H,7-22H2,1-6H3
InChIKeyXXODFAFGTKGWOW-UHFFFAOYSA-N
XLogP9.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
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16-tetratriacontan-16-yloxytetratriacontane
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2-methylbutane;2-methyltridecane
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ethyl-dimethyl-(5-methylhexyl)phosphanium
CID 90936970
6-tricosan-6-yloxytricosane
CID 57279617
2-methyl-8-(8-methylnonan-2-yloxy)nonane
CID 175712820
(7R)-7-methoxy-2-methylundecane
CID 118890177
2-methyldecane
CID 23415
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane?
The IUPAC name of 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane (CID 158091351) is 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane.
What is the SMILES notation for 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane?
The canonical SMILES for 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane is CCC(CCCCCCCC(C)C)OC(CC)CCCCCCCC(C)C.
What is the InChIKey of 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane?
The InChIKey is XXODFAFGTKGWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-7-25(21-17-13-9-11-15-19-23(3)4)27-26(8-2)22-18-14-10-12-16-20-24(5)6/h23-26H,7-22H2,1-6H3.
What are the key properties of 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane?
2-methyl-10-(11-methyldodecan-3-yloxy)dodecane has a molecular weight of 382.72 g/mol, XLogP of 9.33, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-(11-methyldodecan-3-yloxy)dodecane is sourced from PubChem (CID 158091351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).