pentan-1-ol;propane

C8H20O — CID 87763104

IUPACpentan-1-ol;propane
SMILESCCC.CCCCCO
InChIInChI=1S/C5H12O.C3H8/c1-2-3-4-5-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3
InChIKeyGTXCOMLMCXGZCH-UHFFFAOYSA-N
MW132.25 g/mol
LogP2.59
Rot. Bonds3

About pentan-1-ol;propane

pentan-1-ol;propane (PubChem CID 87763104) has the molecular formula C8H20O and a molecular weight of 132.25 g/mol. Its IUPAC name is pentan-1-ol;propane.

Molecular Properties

Compound Namepentan-1-ol;propane
PubChem CID87763104
Molecular FormulaC8H20O
Molecular Weight132.25 g/mol
Exact Mass132.15
IUPAC Namepentan-1-ol;propane
SMILESCCC.CCCCCO
InChIInChI=1S/C5H12O.C3H8/c1-2-3-4-5-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3
InChIKeyGTXCOMLMCXGZCH-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecan-1-ol;propane
CID 174371095
hexan-1-ol;nonane
CID 175106830
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
gold;pentan-1-ol
CID 152701196
nickel;pentan-1-ol
CID 157287705
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
azane;tris(pentan-1-ol)
CID 175785399

Frequently Asked Questions

What is the IUPAC name of pentan-1-ol;propane?
The IUPAC name of pentan-1-ol;propane (CID 87763104) is pentan-1-ol;propane.
What is the SMILES notation for pentan-1-ol;propane?
The canonical SMILES for pentan-1-ol;propane is CCC.CCCCCO.
What is the InChIKey of pentan-1-ol;propane?
The InChIKey is GTXCOMLMCXGZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C3H8/c1-2-3-4-5-6;1-3-2/h6H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of pentan-1-ol;propane?
pentan-1-ol;propane has a molecular weight of 132.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-ol;propane is sourced from PubChem (CID 87763104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).