1-dodecoxydodecane

C24H50O — CID 20667

IUPAC1-dodecoxydodecane
SMILESCCCCCCCCCCCCOCCCCCCCCCCCC
InChIInChI=1S/C24H50O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyCMCBDXRRFKYBDG-UHFFFAOYSA-N
MW354.66 g/mol
LogP8.84
Rot. Bonds22

About 1-dodecoxydodecane

1-dodecoxydodecane (PubChem CID 20667) has the molecular formula C24H50O and a molecular weight of 354.66 g/mol. Its IUPAC name is 1-dodecoxydodecane.

Molecular Properties

Compound Name1-dodecoxydodecane
PubChem CID20667
Molecular FormulaC24H50O
Molecular Weight354.66 g/mol
Exact Mass354.39
IUPAC Name1-dodecoxydodecane
SMILESCCCCCCCCCCCCOCCCCCCCCCCCC
InChIInChI=1S/C24H50O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyCMCBDXRRFKYBDG-UHFFFAOYSA-N
XLogP8.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 58.84
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

Dicaprylyl Ether
CID 12399
Didecyl Ether
CID 17152
Decane, 1-methoxy-
CID 23716
Dicetyl Ether
CID 77757
Dimyristyl Ether
CID 79433
Distearyl Ether
CID 80526
Heptane, 1,1'-oxybis-
CID 12392
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
Dioctyl peroxide
CID 29430
9,10-Epoxyoctadecane
CID 4621500
1-Ethoxyoctane
CID 94664

Frequently Asked Questions

What is the IUPAC name of 1-dodecoxydodecane?
The IUPAC name of 1-dodecoxydodecane (CID 20667) is 1-dodecoxydodecane.
What is the SMILES notation for 1-dodecoxydodecane?
The canonical SMILES for 1-dodecoxydodecane is CCCCCCCCCCCCOCCCCCCCCCCCC.
What is the InChIKey of 1-dodecoxydodecane?
The InChIKey is CMCBDXRRFKYBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 1-dodecoxydodecane?
1-dodecoxydodecane has a molecular weight of 354.66 g/mol, XLogP of 8.84, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecoxydodecane is sourced from PubChem (CID 20667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).