3-methyl-5-(3-methylbutoxy)pentan-1-ol

C11H24O2 — CID 175419850

IUPAC3-methyl-5-(3-methylbutoxy)pentan-1-ol
SMILESCC(C)CCOCCC(C)CCO
InChIInChI=1S/C11H24O2/c1-10(2)5-8-13-9-6-11(3)4-7-12/h10-12H,4-9H2,1-3H3
InChIKeyGTFTVXFMLZGREL-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.46
Rot. Bonds8

About 3-methyl-5-(3-methylbutoxy)pentan-1-ol

3-methyl-5-(3-methylbutoxy)pentan-1-ol (PubChem CID 175419850) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methyl-5-(3-methylbutoxy)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-5-(3-methylbutoxy)pentan-1-ol
PubChem CID175419850
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methyl-5-(3-methylbutoxy)pentan-1-ol
SMILESCC(C)CCOCCC(C)CCO
InChIInChI=1S/C11H24O2/c1-10(2)5-8-13-9-6-11(3)4-7-12/h10-12H,4-9H2,1-3H3
InChIKeyGTFTVXFMLZGREL-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
2-[2-[2-[2-[2-(3,7-dimethyloctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102323659
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
3,7-dimethyloctan-1-ol
CID 7792
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
CID 166008404
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749078
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
ethane-1,2-diol;3-methyl-1-(3-methylbutoxy)butane;bis(2-sulfanylacetic acid)
CID 174646492
2-[3-[3-(3-methylbutoxy)propyldisulfanyl]propoxy]ethanol
CID 177289189

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylbutoxy)pentan-1-ol?
The IUPAC name of 3-methyl-5-(3-methylbutoxy)pentan-1-ol (CID 175419850) is 3-methyl-5-(3-methylbutoxy)pentan-1-ol.
What is the SMILES notation for 3-methyl-5-(3-methylbutoxy)pentan-1-ol?
The canonical SMILES for 3-methyl-5-(3-methylbutoxy)pentan-1-ol is CC(C)CCOCCC(C)CCO.
What is the InChIKey of 3-methyl-5-(3-methylbutoxy)pentan-1-ol?
The InChIKey is GTFTVXFMLZGREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-10(2)5-8-13-9-6-11(3)4-7-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-methyl-5-(3-methylbutoxy)pentan-1-ol?
3-methyl-5-(3-methylbutoxy)pentan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylbutoxy)pentan-1-ol is sourced from PubChem (CID 175419850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).