1-(3,7-dimethyloctoxy)-10,10-dimethylundecane

C23H48O — CID 139372229

IUPAC1-(3,7-dimethyloctoxy)-10,10-dimethylundecane
SMILESCC(C)CCCC(C)CCOCCCCCCCCCC(C)(C)C
InChIInChI=1S/C23H48O/c1-21(2)15-14-16-22(3)17-20-24-19-13-11-9-7-8-10-12-18-23(4,5)6/h21-22H,7-20H2,1-6H3
InChIKeyRZHPPGBQXINRJH-UHFFFAOYSA-N
MW340.64 g/mol
LogP8.02
Rot. Bonds16

About 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane

1-(3,7-dimethyloctoxy)-10,10-dimethylundecane (PubChem CID 139372229) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane.

Molecular Properties

Compound Name1-(3,7-dimethyloctoxy)-10,10-dimethylundecane
PubChem CID139372229
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name1-(3,7-dimethyloctoxy)-10,10-dimethylundecane
SMILESCC(C)CCCC(C)CCOCCCCCCCCCC(C)(C)C
InChIInChI=1S/C23H48O/c1-21(2)15-14-16-22(3)17-20-24-19-13-11-9-7-8-10-12-18-23(4,5)6/h21-22H,7-20H2,1-6H3
InChIKeyRZHPPGBQXINRJH-UHFFFAOYSA-N
XLogP8.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 58.02
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

1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
2,2,7,13-tetramethyltetradecane
CID 164934007
1-(3,3-dimethylbutoxy)-17-methyloctadecane;1-(4,4-dimethylpentoxy)-15-methylhexadecane
CID 161487633
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
1-(3,3-dimethylbutoxy)-3,7,11,15-tetramethyloctadecane
CID 126578390
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2-[2-[2-[2-[2-(3,7-dimethyloctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102323659
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
1-(5,5-dimethylhexoxy)octadecane
CID 172523117
1-(3,5,5-trimethylhexoxy)undecane
CID 86724837

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane?
The IUPAC name of 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane (CID 139372229) is 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane.
What is the SMILES notation for 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane?
The canonical SMILES for 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane is CC(C)CCCC(C)CCOCCCCCCCCCC(C)(C)C.
What is the InChIKey of 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane?
The InChIKey is RZHPPGBQXINRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O/c1-21(2)15-14-16-22(3)17-20-24-19-13-11-9-7-8-10-12-18-23(4,5)6/h21-22H,7-20H2,1-6H3.
What are the key properties of 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane?
1-(3,7-dimethyloctoxy)-10,10-dimethylundecane has a molecular weight of 340.64 g/mol, XLogP of 8.02, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloctoxy)-10,10-dimethylundecane is sourced from PubChem (CID 139372229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).