5-(2-hydroxypropoxy)pentan-1-ol

C8H18O3 — CID 14473456

IUPAC5-(2-hydroxypropoxy)pentan-1-ol
SMILESCC(O)COCCCCCO
InChIInChI=1S/C8H18O3/c1-8(10)7-11-6-4-2-3-5-9/h8-10H,2-7H2,1H3
InChIKeyAAGLLZCZAIKRRL-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.55
Rot. Bonds7

About 5-(2-hydroxypropoxy)pentan-1-ol

5-(2-hydroxypropoxy)pentan-1-ol (PubChem CID 14473456) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 5-(2-hydroxypropoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2-hydroxypropoxy)pentan-1-ol
PubChem CID14473456
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name5-(2-hydroxypropoxy)pentan-1-ol
SMILESCC(O)COCCCCCO
InChIInChI=1S/C8H18O3/c1-8(10)7-11-6-4-2-3-5-9/h8-10H,2-7H2,1H3
InChIKeyAAGLLZCZAIKRRL-UHFFFAOYSA-N
XLogP0.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
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-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
3-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
(2S)-1-butoxypropan-2-ol
CID 54289557
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
CID 89205374
5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol
CID 87465197
hexan-1-ol;1-methoxypropan-2-ol
CID 87087697

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropoxy)pentan-1-ol?
The IUPAC name of 5-(2-hydroxypropoxy)pentan-1-ol (CID 14473456) is 5-(2-hydroxypropoxy)pentan-1-ol.
What is the SMILES notation for 5-(2-hydroxypropoxy)pentan-1-ol?
The canonical SMILES for 5-(2-hydroxypropoxy)pentan-1-ol is CC(O)COCCCCCO.
What is the InChIKey of 5-(2-hydroxypropoxy)pentan-1-ol?
The InChIKey is AAGLLZCZAIKRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-8(10)7-11-6-4-2-3-5-9/h8-10H,2-7H2,1H3.
What are the key properties of 5-(2-hydroxypropoxy)pentan-1-ol?
5-(2-hydroxypropoxy)pentan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropoxy)pentan-1-ol is sourced from PubChem (CID 14473456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).