3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane

C14H30O3 — CID 172857942

IUPAC3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
SMILESCCC(C)CCOCOCOCCC(C)CC
InChIInChI=1S/C14H30O3/c1-5-13(3)7-9-15-11-17-12-16-10-8-14(4)6-2/h13-14H,5-12H2,1-4H3
InChIKeyYYTGMLTXLRBJOX-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.82
Rot. Bonds12

About 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane

3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane (PubChem CID 172857942) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane.

Molecular Properties

Compound Name3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
PubChem CID172857942
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
SMILESCCC(C)CCOCOCOCCC(C)CC
InChIInChI=1S/C14H30O3/c1-5-13(3)7-9-15-11-17-12-16-10-8-14(4)6-2/h13-14H,5-12H2,1-4H3
InChIKeyYYTGMLTXLRBJOX-UHFFFAOYSA-N
XLogP3.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-methyl-1-propoxypentane
CID 123388243
(3R)-1-(2-fluoroethoxy)-3-methylpentane
CID 130394752
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
bis(3-methylpentoxy)-oxophosphanium
CID 174765578
O-(3-methylpentyl) methanethioate
CID 87569073
2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
CID 143398421
1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane
CID 574768
(3R,7R)-3,7-dimethylnonane
CID 42626759
1-(ethoxymethoxy)pentan-3-ol
CID 139715478
1-dimethylphosphoryloxy-3-methylpentane
CID 154090861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane?
The IUPAC name of 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane (CID 172857942) is 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane.
What is the SMILES notation for 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane?
The canonical SMILES for 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane is CCC(C)CCOCOCOCCC(C)CC.
What is the InChIKey of 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane?
The InChIKey is YYTGMLTXLRBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-5-13(3)7-9-15-11-17-12-16-10-8-14(4)6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane?
3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane has a molecular weight of 246.39 g/mol, XLogP of 3.82, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane is sourced from PubChem (CID 172857942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).