8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane

C26H52O2 — CID 131974238

IUPAC8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane
SMILESCC(C)=CCCC(C)CCOC(C)(C)C(C)(C)CCCC(C)CCOC(C)C
InChIInChI=1S/C26H52O2/c1-21(2)13-11-14-23(5)17-20-28-26(9,10)25(7,8)18-12-15-24(6)16-19-27-22(3)4/h13,22-24H,11-12,14-20H2,1-10H3
InChIKeyBPSPHGILVNBKDE-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.20
Rot. Bonds16

About 8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane

8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane (PubChem CID 131974238) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane.

Molecular Properties

Compound Name8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane
PubChem CID131974238
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane
SMILESCC(C)=CCCC(C)CCOC(C)(C)C(C)(C)CCCC(C)CCOC(C)C
InChIInChI=1S/C26H52O2/c1-21(2)13-11-14-23(5)17-20-28-26(9,10)25(7,8)18-12-15-24(6)16-19-27-22(3)4/h13,22-24H,11-12,14-20H2,1-10H3
InChIKeyBPSPHGILVNBKDE-UHFFFAOYSA-N
XLogP8.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
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)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane?
The IUPAC name of 8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane (CID 131974238) is 8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane.
What is the SMILES notation for 8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane?
The canonical SMILES for 8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane is CC(C)=CCCC(C)CCOC(C)(C)C(C)(C)CCCC(C)CCOC(C)C.
What is the InChIKey of 8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane?
The InChIKey is BPSPHGILVNBKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2/c1-21(2)13-11-14-23(5)17-20-28-26(9,10)25(7,8)18-12-15-24(6)16-19-27-22(3)4/h13,22-24H,11-12,14-20H2,1-10H3.
What are the key properties of 8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane?
8-(3,7-dimethyloct-6-enoxy)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane has a molecular weight of 396.70 g/mol, XLogP of 8.20, 16 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)-3,7,7,8-tetramethyl-1-propan-2-yloxynonane is sourced from PubChem (CID 131974238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).