3-(2-butoxyethyl)-4-methylpentan-2-ol

C12H26O2 — CID 62914613

IUPAC3-(2-butoxyethyl)-4-methylpentan-2-ol
SMILESCCCCOCCC(C(C)C)C(C)O
InChIInChI=1S/C12H26O2/c1-5-6-8-14-9-7-12(10(2)3)11(4)13/h10-13H,5-9H2,1-4H3
InChIKeyQYZYYYJGMQXKNB-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.85
Rot. Bonds8

About 3-(2-butoxyethyl)-4-methylpentan-2-ol

3-(2-butoxyethyl)-4-methylpentan-2-ol (PubChem CID 62914613) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-(2-butoxyethyl)-4-methylpentan-2-ol
PubChem CID62914613
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-(2-butoxyethyl)-4-methylpentan-2-ol
SMILESCCCCOCCC(C(C)C)C(C)O
InChIInChI=1S/C12H26O2/c1-5-6-8-14-9-7-12(10(2)3)11(4)13/h10-13H,5-9H2,1-4H3
InChIKeyQYZYYYJGMQXKNB-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.85
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

butane-2,3-diol;1-butoxybutane
CID 87169993
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
CID 104564635
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine
CID 104564633
1-amino-3-butoxypropan-1-ol
CID 57047625
3-(2-methoxyethyl)-4-methylpentan-2-ol
CID 62915702
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
3-(2-butoxyethoxy)-1-chloropropan-1-ol
CID 175308716
22-butoxydocosan-2-ol
CID 88608244
1-butoxybutane;propane-1,1-diol
CID 87222669
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-bromo-4-butoxy-2-methylbutane
CID 66049175

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-4-methylpentan-2-ol?
The IUPAC name of 3-(2-butoxyethyl)-4-methylpentan-2-ol (CID 62914613) is 3-(2-butoxyethyl)-4-methylpentan-2-ol.
What is the SMILES notation for 3-(2-butoxyethyl)-4-methylpentan-2-ol?
The canonical SMILES for 3-(2-butoxyethyl)-4-methylpentan-2-ol is CCCCOCCC(C(C)C)C(C)O.
What is the InChIKey of 3-(2-butoxyethyl)-4-methylpentan-2-ol?
The InChIKey is QYZYYYJGMQXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-6-8-14-9-7-12(10(2)3)11(4)13/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-(2-butoxyethyl)-4-methylpentan-2-ol?
3-(2-butoxyethyl)-4-methylpentan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-4-methylpentan-2-ol is sourced from PubChem (CID 62914613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).