4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane

C14H30O3 — CID 176777068

IUPAC4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
SMILESCC(C)OCCOCCOCCCC(C)(C)C
InChIInChI=1S/C14H30O3/c1-13(2)17-12-11-16-10-9-15-8-6-7-14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyFKVUKXWFZUVPAM-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.27
Rot. Bonds10

About 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane

4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane (PubChem CID 176777068) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
PubChem CID176777068
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
SMILESCC(C)OCCOCCOCCCC(C)(C)C
InChIInChI=1S/C14H30O3/c1-13(2)17-12-11-16-10-9-15-8-6-7-14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyFKVUKXWFZUVPAM-UHFFFAOYSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
2-(ethylamino)-2-methyl-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 64805300
3,5,5-trimethyl-1-(2-propan-2-yloxyethoxy)hexane
CID 138626060
boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
CID 175110139
N-tert-butyl-4-(2-propan-2-yloxyethoxy)butan-1-amine
CID 62457092
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721
2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine
CID 146520233
1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one
CID 152997750

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane?
The IUPAC name of 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane (CID 176777068) is 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane.
What is the SMILES notation for 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane?
The canonical SMILES for 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane is CC(C)OCCOCCOCCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane?
The InChIKey is FKVUKXWFZUVPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-13(2)17-12-11-16-10-9-15-8-6-7-14(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane?
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane has a molecular weight of 246.39 g/mol, XLogP of 3.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane is sourced from PubChem (CID 176777068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).