1-methoxy-2,28-dimethyltriacontane

C33H68O — CID 86172840

IUPAC1-methoxy-2,28-dimethyltriacontane
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)COC
InChIInChI=1S/C33H68O/c1-5-32(2)29-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-28-30-33(3)31-34-4/h32-33H,5-31H2,1-4H3
InChIKeySCUOMEPXKFAVKS-UHFFFAOYSA-N
MW480.91 g/mol
LogP12.07
Rot. Bonds29

About 1-methoxy-2,28-dimethyltriacontane

1-methoxy-2,28-dimethyltriacontane (PubChem CID 86172840) has the molecular formula C33H68O and a molecular weight of 480.91 g/mol. Its IUPAC name is 1-methoxy-2,28-dimethyltriacontane.

Molecular Properties

Compound Name1-methoxy-2,28-dimethyltriacontane
PubChem CID86172840
Molecular FormulaC33H68O
Molecular Weight480.91 g/mol
Exact Mass480.53
IUPAC Name1-methoxy-2,28-dimethyltriacontane
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)COC
InChIInChI=1S/C33H68O/c1-5-32(2)29-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-28-30-33(3)31-34-4/h32-33H,5-31H2,1-4H3
InChIKeySCUOMEPXKFAVKS-UHFFFAOYSA-N
XLogP12.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.91
LogP ≤ 512.07
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,28-dimethyltriacontane?
The IUPAC name of 1-methoxy-2,28-dimethyltriacontane (CID 86172840) is 1-methoxy-2,28-dimethyltriacontane.
What is the SMILES notation for 1-methoxy-2,28-dimethyltriacontane?
The canonical SMILES for 1-methoxy-2,28-dimethyltriacontane is CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)COC.
What is the InChIKey of 1-methoxy-2,28-dimethyltriacontane?
The InChIKey is SCUOMEPXKFAVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O/c1-5-32(2)29-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-28-30-33(3)31-34-4/h32-33H,5-31H2,1-4H3.
What are the key properties of 1-methoxy-2,28-dimethyltriacontane?
1-methoxy-2,28-dimethyltriacontane has a molecular weight of 480.91 g/mol, XLogP of 12.07, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,28-dimethyltriacontane is sourced from PubChem (CID 86172840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).