5-deuteriopentan-1-ol

C5H12O — CID 58290914

IUPAC5-deuteriopentan-1-ol
SMILES[2H]CCCCCO
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i1D
InChIKeyAMQJEAYHLZJPGS-MICDWDOJSA-N
MW89.16 g/mol
LogP1.17
Rot. Bonds4

About 5-deuteriopentan-1-ol

5-deuteriopentan-1-ol (PubChem CID 58290914) has the molecular formula C5H12O and a molecular weight of 89.16 g/mol. Its IUPAC name is 5-deuteriopentan-1-ol.

Molecular Properties

Compound Name5-deuteriopentan-1-ol
PubChem CID58290914
Molecular FormulaC5H12O
Molecular Weight89.16 g/mol
Exact Mass89.10
IUPAC Name5-deuteriopentan-1-ol
SMILES[2H]CCCCCO
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i1D
InChIKeyAMQJEAYHLZJPGS-MICDWDOJSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 51.17
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

1,7-dideuterioheptane
CID 150574490
10,10,10-trideuteriodecan-1-ol
CID 132935619
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
pentan-1-ol;yttrium
CID 154312100
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
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
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of 5-deuteriopentan-1-ol?
The IUPAC name of 5-deuteriopentan-1-ol (CID 58290914) is 5-deuteriopentan-1-ol.
What is the SMILES notation for 5-deuteriopentan-1-ol?
The canonical SMILES for 5-deuteriopentan-1-ol is [2H]CCCCCO.
What is the InChIKey of 5-deuteriopentan-1-ol?
The InChIKey is AMQJEAYHLZJPGS-MICDWDOJSA-N. The full InChI is InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i1D.
What are the key properties of 5-deuteriopentan-1-ol?
5-deuteriopentan-1-ol has a molecular weight of 89.16 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuteriopentan-1-ol is sourced from PubChem (CID 58290914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).