3-methyl-1-[3-(2-methylpropoxy)propoxy]butane

C12H26O2 — CID 171414218

IUPAC3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
SMILESCC(C)CCOCCCOCC(C)C
InChIInChI=1S/C12H26O2/c1-11(2)6-9-13-7-5-8-14-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyWKBGOCHEXSGCKQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.11
Rot. Bonds9

About 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane

3-methyl-1-[3-(2-methylpropoxy)propoxy]butane (PubChem CID 171414218) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane.

Molecular Properties

Compound Name3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
PubChem CID171414218
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
SMILESCC(C)CCOCCCOCC(C)C
InChIInChI=1S/C12H26O2/c1-11(2)6-9-13-7-5-8-14-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyWKBGOCHEXSGCKQ-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.11
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

3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
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
3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane
CID 159973064
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane?
The IUPAC name of 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane (CID 171414218) is 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane.
What is the SMILES notation for 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane?
The canonical SMILES for 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane is CC(C)CCOCCCOCC(C)C.
What is the InChIKey of 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane?
The InChIKey is WKBGOCHEXSGCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-11(2)6-9-13-7-5-8-14-10-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane?
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane has a molecular weight of 202.34 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(2-methylpropoxy)propoxy]butane is sourced from PubChem (CID 171414218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).