5-butoxy-4-methoxypentan-2-ol

C10H22O3 — CID 89084947

IUPAC5-butoxy-4-methoxypentan-2-ol
SMILESCCCCOCC(CC(C)O)OC
InChIInChI=1S/C10H22O3/c1-4-5-6-13-8-10(12-3)7-9(2)11/h9-11H,4-8H2,1-3H3
InChIKeyJUOCHFWZOKKUDB-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.59
Rot. Bonds8

About 5-butoxy-4-methoxypentan-2-ol

5-butoxy-4-methoxypentan-2-ol (PubChem CID 89084947) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 5-butoxy-4-methoxypentan-2-ol.

Molecular Properties

Compound Name5-butoxy-4-methoxypentan-2-ol
PubChem CID89084947
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name5-butoxy-4-methoxypentan-2-ol
SMILESCCCCOCC(CC(C)O)OC
InChIInChI=1S/C10H22O3/c1-4-5-6-13-8-10(12-3)7-9(2)11/h9-11H,4-8H2,1-3H3
InChIKeyJUOCHFWZOKKUDB-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-butoxypropan-2-ol
CID 54289557
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
CID 88546913
1-(butoxymethoxy)propan-2-ol
CID 131855718
butane-2,3-diol;1-butoxybutane
CID 87169993
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-4-methoxypentan-2-ol?
The IUPAC name of 5-butoxy-4-methoxypentan-2-ol (CID 89084947) is 5-butoxy-4-methoxypentan-2-ol.
What is the SMILES notation for 5-butoxy-4-methoxypentan-2-ol?
The canonical SMILES for 5-butoxy-4-methoxypentan-2-ol is CCCCOCC(CC(C)O)OC.
What is the InChIKey of 5-butoxy-4-methoxypentan-2-ol?
The InChIKey is JUOCHFWZOKKUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-4-5-6-13-8-10(12-3)7-9(2)11/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-butoxy-4-methoxypentan-2-ol?
5-butoxy-4-methoxypentan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-4-methoxypentan-2-ol is sourced from PubChem (CID 89084947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).