1-methoxy-5-propoxypentan-2-ol

C9H20O3 — CID 106455960

IUPAC1-methoxy-5-propoxypentan-2-ol
SMILESCCCOCCCC(O)COC
InChIInChI=1S/C9H20O3/c1-3-6-12-7-4-5-9(10)8-11-2/h9-10H,3-8H2,1-2H3
InChIKeyAYIGAJXKQQRTFD-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.20
Rot. Bonds8

About 1-methoxy-5-propoxypentan-2-ol

1-methoxy-5-propoxypentan-2-ol (PubChem CID 106455960) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methoxy-5-propoxypentan-2-ol.

Molecular Properties

Compound Name1-methoxy-5-propoxypentan-2-ol
PubChem CID106455960
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1-methoxy-5-propoxypentan-2-ol
SMILESCCCOCCCC(O)COC
InChIInChI=1S/C9H20O3/c1-3-6-12-7-4-5-9(10)8-11-2/h9-10H,3-8H2,1-2H3
InChIKeyAYIGAJXKQQRTFD-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.20
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

1-ethoxy-5-methoxypentan-2-ol
CID 79566643
4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
CID 177262274
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-methoxyhexan-2-ol;propane-1,2,3-triol
CID 162066380
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
1,4-dioctoxybutan-2-ol
CID 91047029

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-propoxypentan-2-ol?
The IUPAC name of 1-methoxy-5-propoxypentan-2-ol (CID 106455960) is 1-methoxy-5-propoxypentan-2-ol.
What is the SMILES notation for 1-methoxy-5-propoxypentan-2-ol?
The canonical SMILES for 1-methoxy-5-propoxypentan-2-ol is CCCOCCCC(O)COC.
What is the InChIKey of 1-methoxy-5-propoxypentan-2-ol?
The InChIKey is AYIGAJXKQQRTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-3-6-12-7-4-5-9(10)8-11-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methoxy-5-propoxypentan-2-ol?
1-methoxy-5-propoxypentan-2-ol has a molecular weight of 176.26 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-propoxypentan-2-ol is sourced from PubChem (CID 106455960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).