2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane

C24H50O — CID 18444100

IUPAC2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
SMILESCCCCCCCC(C)C(C)(C)OC(C)(C)C(C)CCCCCCC
InChIInChI=1S/C24H50O/c1-9-11-13-15-17-19-21(3)23(5,6)25-24(7,8)22(4)20-18-16-14-12-10-2/h21-22H,9-20H2,1-8H3
InChIKeyAFDBZPRTAKWRON-UHFFFAOYSA-N
MW354.66 g/mol
LogP8.55
Rot. Bonds16

About 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane

2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane (PubChem CID 18444100) has the molecular formula C24H50O and a molecular weight of 354.66 g/mol. Its IUPAC name is 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane.

Molecular Properties

Compound Name2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
PubChem CID18444100
Molecular FormulaC24H50O
Molecular Weight354.66 g/mol
Exact Mass354.39
IUPAC Name2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
SMILESCCCCCCCC(C)C(C)(C)OC(C)(C)C(C)CCCCCCC
InChIInChI=1S/C24H50O/c1-9-11-13-15-17-19-21(3)23(5,6)25-24(7,8)22(4)20-18-16-14-12-10-2/h21-22H,9-20H2,1-8H3
InChIKeyAFDBZPRTAKWRON-UHFFFAOYSA-N
XLogP8.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 58.55
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

2-methoxy-2,3-dimethylundecane
CID 150941081
2,2,3-trimethylundecane
CID 21285055
2,3-dimethyldecan-2-yl dihydrogen phosphate
CID 19995674
2-amino-3-methylheptadecan-2-ol
CID 88695872
2-chloro-2,3-dimethylnonane
CID 87897655
2,3-dimethylhexadecan-2-amine
CID 87479269
2,3-dimethyltridecane-2-thiol
CID 175066611
2-chloro-2,3-dimethyltridecane
CID 87222996
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
2,3,3,4-tetramethylnonadecane
CID 174953704
3-methylheptadecane-2,2-diamine
CID 141040528

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane?
The IUPAC name of 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane (CID 18444100) is 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane.
What is the SMILES notation for 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane?
The canonical SMILES for 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane is CCCCCCCC(C)C(C)(C)OC(C)(C)C(C)CCCCCCC.
What is the InChIKey of 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane?
The InChIKey is AFDBZPRTAKWRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O/c1-9-11-13-15-17-19-21(3)23(5,6)25-24(7,8)22(4)20-18-16-14-12-10-2/h21-22H,9-20H2,1-8H3.
What are the key properties of 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane?
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane has a molecular weight of 354.66 g/mol, XLogP of 8.55, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane is sourced from PubChem (CID 18444100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).