3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane

C21H44O5 — CID 139316697

IUPAC3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
SMILESCC(C)CCOCCCOCCCOCCCOCCCOC(C)(C)C
InChIInChI=1S/C21H44O5/c1-20(2)10-19-25-16-8-15-23-12-6-11-22-13-7-14-24-17-9-18-26-21(3,4)5/h20H,6-19H2,1-5H3
InChIKeyLAMFFEXBXRZHAI-UHFFFAOYSA-N
MW376.58 g/mol
LogP4.47
Rot. Bonds19

About 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane

3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane (PubChem CID 139316697) has the molecular formula C21H44O5 and a molecular weight of 376.58 g/mol. Its IUPAC name is 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane.

Molecular Properties

Compound Name3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
PubChem CID139316697
Molecular FormulaC21H44O5
Molecular Weight376.58 g/mol
Exact Mass376.32
IUPAC Name3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
SMILESCC(C)CCOCCCOCCCOCCCOCCCOC(C)(C)C
InChIInChI=1S/C21H44O5/c1-20(2)10-19-25-16-8-15-23-12-6-11-22-13-7-14-24-17-9-18-26-21(3,4)5/h20H,6-19H2,1-5H3
InChIKeyLAMFFEXBXRZHAI-UHFFFAOYSA-N
XLogP4.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane
CID 139316790
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
CID 173256840
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
CID 4077517
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane?
The IUPAC name of 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane (CID 139316697) is 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane.
What is the SMILES notation for 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane?
The canonical SMILES for 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane is CC(C)CCOCCCOCCCOCCCOCCCOC(C)(C)C.
What is the InChIKey of 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane?
The InChIKey is LAMFFEXBXRZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O5/c1-20(2)10-19-25-16-8-15-23-12-6-11-22-13-7-14-24-17-9-18-26-21(3,4)5/h20H,6-19H2,1-5H3.
What are the key properties of 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane?
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane has a molecular weight of 376.58 g/mol, XLogP of 4.47, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane is sourced from PubChem (CID 139316697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).