2,2,4-trimethyl-4-(4-methylpentoxy)pentane

C14H30O — CID 91752497

IUPAC2,2,4-trimethyl-4-(4-methylpentoxy)pentane
SMILESCC(C)CCCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-12(2)9-8-10-15-14(6,7)11-13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyUUBSLYFKXOFLCA-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.65
Rot. Bonds6

About 2,2,4-trimethyl-4-(4-methylpentoxy)pentane

2,2,4-trimethyl-4-(4-methylpentoxy)pentane (PubChem CID 91752497) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(4-methylpentoxy)pentane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(4-methylpentoxy)pentane
PubChem CID91752497
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,2,4-trimethyl-4-(4-methylpentoxy)pentane
SMILESCC(C)CCCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-12(2)9-8-10-15-14(6,7)11-13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyUUBSLYFKXOFLCA-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.65
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

2-(2,2-Dimethylpropyl)-2-methyloxirane
CID 95410
2-Methoxy-2,4,4-trimethylpentane
CID 552215
Furan, tetrahydro-2,2,4,4-tetramethyl-
CID 137904
2-Ethoxy-2,4,4-trimethylpentane
CID 22274771
2-(1,1-Dimethylethyl)-3-methyloxetane
CID 534669
Ether, tert-butyl 3,3-dimethylbutyl
CID 546092
2-Ethoxy-2-methylpentane
CID 22000984
Methyl-isobutyl-ather
CID 19768872
Methyl-Butyl-Ather
CID 19906858
Trimethylbutyl ether
CID 20765226
2-Methyl 2-butoxypentane
CID 90688023
tert-Butylmethylather
CID 117808727

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-(4-methylpentoxy)pentane?
The IUPAC name of 2,2,4-trimethyl-4-(4-methylpentoxy)pentane (CID 91752497) is 2,2,4-trimethyl-4-(4-methylpentoxy)pentane.
What is the SMILES notation for 2,2,4-trimethyl-4-(4-methylpentoxy)pentane?
The canonical SMILES for 2,2,4-trimethyl-4-(4-methylpentoxy)pentane is CC(C)CCCOC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-4-(4-methylpentoxy)pentane?
The InChIKey is UUBSLYFKXOFLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-12(2)9-8-10-15-14(6,7)11-13(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of 2,2,4-trimethyl-4-(4-methylpentoxy)pentane?
2,2,4-trimethyl-4-(4-methylpentoxy)pentane has a molecular weight of 214.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(4-methylpentoxy)pentane is sourced from PubChem (CID 91752497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).