1-(3,7-dimethyloctoxy)-1-methoxydecane

C21H44O2 — CID 3022843

IUPAC1-(3,7-dimethyloctoxy)-1-methoxydecane
SMILESCCCCCCCCCC(OC)OCCC(C)CCCC(C)C
InChIInChI=1S/C21H44O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h19-21H,6-18H2,1-5H3
InChIKeyDKWLTGSORMOOAT-UHFFFAOYSA-N
MW328.58 g/mol
LogP6.97
Rot. Bonds17

About 1-(3,7-dimethyloctoxy)-1-methoxydecane

1-(3,7-dimethyloctoxy)-1-methoxydecane (PubChem CID 3022843) has the molecular formula C21H44O2 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1-(3,7-dimethyloctoxy)-1-methoxydecane.

Molecular Properties

Compound Name1-(3,7-dimethyloctoxy)-1-methoxydecane
PubChem CID3022843
Molecular FormulaC21H44O2
Molecular Weight328.58 g/mol
Exact Mass328.33
IUPAC Name1-(3,7-dimethyloctoxy)-1-methoxydecane
SMILESCCCCCCCCCC(OC)OCCC(C)CCCC(C)C
InChIInChI=1S/C21H44O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h19-21H,6-18H2,1-5H3
InChIKeyDKWLTGSORMOOAT-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
2,6,10-trimethyldocosane
CID 175986851
2,6-dimethyltridecane
CID 524061
6-methyl-1,1-dioctoxyheptane
CID 171428766
2,8-dimethylhexacosane
CID 91748840
2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
2,15,18-trimethylhentriacontane
CID 90944921
1,1-dimethoxytetradecane
CID 13265409

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloctoxy)-1-methoxydecane?
The IUPAC name of 1-(3,7-dimethyloctoxy)-1-methoxydecane (CID 3022843) is 1-(3,7-dimethyloctoxy)-1-methoxydecane.
What is the SMILES notation for 1-(3,7-dimethyloctoxy)-1-methoxydecane?
The canonical SMILES for 1-(3,7-dimethyloctoxy)-1-methoxydecane is CCCCCCCCCC(OC)OCCC(C)CCCC(C)C.
What is the InChIKey of 1-(3,7-dimethyloctoxy)-1-methoxydecane?
The InChIKey is DKWLTGSORMOOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2/c1-6-7-8-9-10-11-12-16-21(22-5)23-18-17-20(4)15-13-14-19(2)3/h19-21H,6-18H2,1-5H3.
What are the key properties of 1-(3,7-dimethyloctoxy)-1-methoxydecane?
1-(3,7-dimethyloctoxy)-1-methoxydecane has a molecular weight of 328.58 g/mol, XLogP of 6.97, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloctoxy)-1-methoxydecane is sourced from PubChem (CID 3022843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).