6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane

C23H48O2 — CID 162457350

IUPAC6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane
SMILESCC(C)CCCC(C)CCOC(CCC(C)CCOC(C)C)C(C)C
InChIInChI=1S/C23H48O2/c1-18(2)10-9-11-21(7)15-17-25-23(19(3)4)13-12-22(8)14-16-24-20(5)6/h18-23H,9-17H2,1-8H3
InChIKeyFCSCFYUKVDYCTC-UHFFFAOYSA-N
MW356.64 g/mol
LogP7.11
Rot. Bonds16

About 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane

6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane (PubChem CID 162457350) has the molecular formula C23H48O2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane.

Molecular Properties

Compound Name6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane
PubChem CID162457350
Molecular FormulaC23H48O2
Molecular Weight356.64 g/mol
Exact Mass356.37
IUPAC Name6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane
SMILESCC(C)CCCC(C)CCOC(CCC(C)CCOC(C)C)C(C)C
InChIInChI=1S/C23H48O2/c1-18(2)10-9-11-21(7)15-17-25-23(19(3)4)13-12-22(8)14-16-24-20(5)6/h18-23H,9-17H2,1-8H3
InChIKeyFCSCFYUKVDYCTC-UHFFFAOYSA-N
XLogP7.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,9,13-tetramethyltetradecane
CID 58292409
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
3,5-dimethyl-1-propan-2-yloxyhexane
CID 155609202
1-methoxy-4,8-dimethylnonane
CID 90974533
3-[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]-2-(3,7,11-trimethyldodecoxy)propan-1-ol
CID 18609816
3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444983
2,8-dimethylnonane;1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157236499
1-methoxy-3,10-dimethylundecane
CID 154134706
tris(3,7,11-trimethyldodecyl) phosphate
CID 54444487
1-(3,7-dimethyloctoxy)-1-methoxydecane
CID 3022843
2-[2-[2-[2-[2-(3,7-dimethyloctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102323659
4-methyl-3-(4-methylpentan-2-yloxy)-1-propan-2-yloxypentane
CID 123262229

Frequently Asked Questions

What is the IUPAC name of 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane?
The IUPAC name of 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane (CID 162457350) is 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane.
What is the SMILES notation for 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane?
The canonical SMILES for 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane is CC(C)CCCC(C)CCOC(CCC(C)CCOC(C)C)C(C)C.
What is the InChIKey of 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane?
The InChIKey is FCSCFYUKVDYCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2/c1-18(2)10-9-11-21(7)15-17-25-23(19(3)4)13-12-22(8)14-16-24-20(5)6/h18-23H,9-17H2,1-8H3.
What are the key properties of 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane?
6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane has a molecular weight of 356.64 g/mol, XLogP of 7.11, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,7-dimethyloctoxy)-3,7-dimethyl-1-propan-2-yloxyoctane is sourced from PubChem (CID 162457350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).