5-deuteriooxypentanal

C5H10O2 — CID 121289569

IUPAC5-deuteriooxypentanal
SMILES[2H]OCCCCC=O
InChIInChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2/i7D
InChIKeyCNRGMQRNYAIBTN-WHRKIXHSSA-N
MW103.14 g/mol
LogP0.35
Rot. Bonds5

About 5-deuteriooxypentanal

5-deuteriooxypentanal (PubChem CID 121289569) has the molecular formula C5H10O2 and a molecular weight of 103.14 g/mol. Its IUPAC name is 5-deuteriooxypentanal.

Molecular Properties

Compound Name5-deuteriooxypentanal
PubChem CID121289569
Molecular FormulaC5H10O2
Molecular Weight103.14 g/mol
Exact Mass103.07
IUPAC Name5-deuteriooxypentanal
SMILES[2H]OCCCCC=O
InChIInChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2/i7D
InChIKeyCNRGMQRNYAIBTN-WHRKIXHSSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Hydroxypentanal
CID 20205
Hexanal, 6-hydroxy-
CID 190319
5,5-Dihydroxyvaleraldehyde
CID 3016589
5-Hydroxy-2-methylpentanal
CID 12367598
4,5-Dihydroxypentanal
CID 22172474
5-Hydroxy-4-oxopentanal
CID 53873414
Dideoxyribose
CID 54031129
3,5-Dihydroxypentanal
CID 54288820
3-Keto-5-hydroxypentanal
CID 57283625
5-Oxopentyl hydroperoxide
CID 90329731
Hydroxypropylmalon aldehyde
CID 123676756
1-Deutero-5-hydroxypentanal
CID 129647547

Frequently Asked Questions

What is the IUPAC name of 5-deuteriooxypentanal?
The IUPAC name of 5-deuteriooxypentanal (CID 121289569) is 5-deuteriooxypentanal.
What is the SMILES notation for 5-deuteriooxypentanal?
The canonical SMILES for 5-deuteriooxypentanal is [2H]OCCCCC=O.
What is the InChIKey of 5-deuteriooxypentanal?
The InChIKey is CNRGMQRNYAIBTN-WHRKIXHSSA-N. The full InChI is InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2/i7D.
What are the key properties of 5-deuteriooxypentanal?
5-deuteriooxypentanal has a molecular weight of 103.14 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuteriooxypentanal is sourced from PubChem (CID 121289569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).