8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane

C26H52O2 — CID 131974251

IUPAC8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane
SMILESCCC(OCCC(C)CCC=C(C)C)C(C)(C)CCCC(C)CCOC(C)C
InChIInChI=1S/C26H52O2/c1-10-25(28-20-17-23(6)14-11-13-21(2)3)26(8,9)18-12-15-24(7)16-19-27-22(4)5/h13,22-25H,10-12,14-20H2,1-9H3
InChIKeyNXYBGTKMEWTRSB-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.20
Rot. Bonds17

About 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane

8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane (PubChem CID 131974251) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane.

Molecular Properties

Compound Name8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane
PubChem CID131974251
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane
SMILESCCC(OCCC(C)CCC=C(C)C)C(C)(C)CCCC(C)CCOC(C)C
InChIInChI=1S/C26H52O2/c1-10-25(28-20-17-23(6)14-11-13-21(2)3)26(8,9)18-12-15-24(7)16-19-27-22(4)5/h13,22-25H,10-12,14-20H2,1-9H3
InChIKeyNXYBGTKMEWTRSB-UHFFFAOYSA-N
XLogP8.20
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 ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane?
The IUPAC name of 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane (CID 131974251) is 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane.
What is the SMILES notation for 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane?
The canonical SMILES for 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane is CCC(OCCC(C)CCC=C(C)C)C(C)(C)CCCC(C)CCOC(C)C.
What is the InChIKey of 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane?
The InChIKey is NXYBGTKMEWTRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2/c1-10-25(28-20-17-23(6)14-11-13-21(2)3)26(8,9)18-12-15-24(7)16-19-27-22(4)5/h13,22-25H,10-12,14-20H2,1-9H3.
What are the key properties of 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane?
8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane has a molecular weight of 396.70 g/mol, XLogP of 8.20, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,7-dimethyloct-6-enoxy)-3,7,7-trimethyl-1-propan-2-yloxydecane is sourced from PubChem (CID 131974251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).