(5R)-5-hydroxyhexanal

C6H12O2 — CID 13272706

IUPAC(5R)-5-hydroxyhexanal
SMILESC[C@@H](O)CCCC=O
InChIInChI=1S/C6H12O2/c1-6(8)4-2-3-5-7/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyYRMUTQRWVGDUBW-ZCFIWIBFSA-N
MW116.16 g/mol
LogP0.74
Rot. Bonds4

About (5R)-5-hydroxyhexanal

(5R)-5-hydroxyhexanal (PubChem CID 13272706) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (5R)-5-hydroxyhexanal.

Molecular Properties

Compound Name(5R)-5-hydroxyhexanal
PubChem CID13272706
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(5R)-5-hydroxyhexanal
SMILESC[C@@H](O)CCCC=O
InChIInChI=1S/C6H12O2/c1-6(8)4-2-3-5-7/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyYRMUTQRWVGDUBW-ZCFIWIBFSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxyhexanal?
The IUPAC name of (5R)-5-hydroxyhexanal (CID 13272706) is (5R)-5-hydroxyhexanal.
What is the SMILES notation for (5R)-5-hydroxyhexanal?
The canonical SMILES for (5R)-5-hydroxyhexanal is C[C@@H](O)CCCC=O.
What is the InChIKey of (5R)-5-hydroxyhexanal?
The InChIKey is YRMUTQRWVGDUBW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(8)4-2-3-5-7/h5-6,8H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (5R)-5-hydroxyhexanal?
(5R)-5-hydroxyhexanal has a molecular weight of 116.16 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxyhexanal is sourced from PubChem (CID 13272706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).