1,10-bis(2-methylbutan-2-yloxy)decane

C20H42O2 — CID 171725385

IUPAC1,10-bis(2-methylbutan-2-yloxy)decane
SMILESCCC(C)(C)OCCCCCCCCCCOC(C)(C)CC
InChIInChI=1S/C20H42O2/c1-7-19(3,4)21-17-15-13-11-9-10-12-14-16-18-22-20(5,6)8-2/h7-18H2,1-6H3
InChIKeyXLZSHCWKCQTXEP-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.52
Rot. Bonds15

About 1,10-bis(2-methylbutan-2-yloxy)decane

1,10-bis(2-methylbutan-2-yloxy)decane (PubChem CID 171725385) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 1,10-bis(2-methylbutan-2-yloxy)decane.

Molecular Properties

Compound Name1,10-bis(2-methylbutan-2-yloxy)decane
PubChem CID171725385
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name1,10-bis(2-methylbutan-2-yloxy)decane
SMILESCCC(C)(C)OCCCCCCCCCCOC(C)(C)CC
InChIInChI=1S/C20H42O2/c1-7-19(3,4)21-17-15-13-11-9-10-12-14-16-18-22-20(5,6)8-2/h7-18H2,1-6H3
InChIKeyXLZSHCWKCQTXEP-UHFFFAOYSA-N
XLogP6.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
2-dodecoxy-2-methyltetradecane
CID 158074564
2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane
CID 144531318
N-methyl-2-[3-(2-methylbutan-2-yloxy)propoxy]ethanamine
CID 134441292
5-ethyl-5-methyl-1-(2-methylbutan-2-yloxy)heptan-4-one
CID 88875177
2-amino-2-methyl-5-(2-methylbutan-2-yloxy)pentan-1-ol
CID 64802128
(4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene
CID 144971934
2-methyl-2-(2-propoxyethoxy)butane
CID 174670155
3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane
CID 90932083
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbutane
CID 89483999
N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine
CID 62597960
N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine
CID 62597444

Frequently Asked Questions

What is the IUPAC name of 1,10-bis(2-methylbutan-2-yloxy)decane?
The IUPAC name of 1,10-bis(2-methylbutan-2-yloxy)decane (CID 171725385) is 1,10-bis(2-methylbutan-2-yloxy)decane.
What is the SMILES notation for 1,10-bis(2-methylbutan-2-yloxy)decane?
The canonical SMILES for 1,10-bis(2-methylbutan-2-yloxy)decane is CCC(C)(C)OCCCCCCCCCCOC(C)(C)CC.
What is the InChIKey of 1,10-bis(2-methylbutan-2-yloxy)decane?
The InChIKey is XLZSHCWKCQTXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-7-19(3,4)21-17-15-13-11-9-10-12-14-16-18-22-20(5,6)8-2/h7-18H2,1-6H3.
What are the key properties of 1,10-bis(2-methylbutan-2-yloxy)decane?
1,10-bis(2-methylbutan-2-yloxy)decane has a molecular weight of 314.55 g/mol, XLogP of 6.52, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis(2-methylbutan-2-yloxy)decane is sourced from PubChem (CID 171725385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).