10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene

C26H52O2 — CID 162304034

IUPAC10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene
SMILESC=C(C)CCCC(C)CCCCOC(C)(C)CCCC(C)CCOC(C)(C)C
InChIInChI=1S/C26H52O2/c1-22(2)14-12-16-23(3)15-10-11-20-28-26(8,9)19-13-17-24(4)18-21-27-25(5,6)7/h23-24H,1,10-21H2,2-9H3
InChIKeyIIDZANVOSZKPEU-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.35
Rot. Bonds17

About 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene

10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene (PubChem CID 162304034) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene.

Molecular Properties

Compound Name10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene
PubChem CID162304034
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene
SMILESC=C(C)CCCC(C)CCCCOC(C)(C)CCCC(C)CCOC(C)(C)C
InChIInChI=1S/C26H52O2/c1-22(2)14-12-16-23(3)15-10-11-20-28-26(8,9)19-13-17-24(4)18-21-27-25(5,6)7/h23-24H,1,10-21H2,2-9H3
InChIKeyIIDZANVOSZKPEU-UHFFFAOYSA-N
XLogP8.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene?
The IUPAC name of 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene (CID 162304034) is 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene.
What is the SMILES notation for 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene?
The canonical SMILES for 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene is C=C(C)CCCC(C)CCCCOC(C)(C)CCCC(C)CCOC(C)(C)C.
What is the InChIKey of 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene?
The InChIKey is IIDZANVOSZKPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2/c1-22(2)14-12-16-23(3)15-10-11-20-28-26(8,9)19-13-17-24(4)18-21-27-25(5,6)7/h23-24H,1,10-21H2,2-9H3.
What are the key properties of 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene?
10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene has a molecular weight of 396.70 g/mol, XLogP of 8.35, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]octan-2-yl]oxy-2,6-dimethyldec-1-ene is sourced from PubChem (CID 162304034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).