4-hydroxy-5-(2-undecylcyclopropyl)pentanal

C19H36O2 — CID 173330405

IUPAC4-hydroxy-5-(2-undecylcyclopropyl)pentanal
SMILESCCCCCCCCCCCC1CC1CC(O)CCC=O
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-12-17-15-18(17)16-19(21)13-11-14-20/h14,17-19,21H,2-13,15-16H2,1H3
InChIKeyDZLAEXYNZQFWFB-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.27
Rot. Bonds15

About 4-hydroxy-5-(2-undecylcyclopropyl)pentanal

4-hydroxy-5-(2-undecylcyclopropyl)pentanal (PubChem CID 173330405) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-hydroxy-5-(2-undecylcyclopropyl)pentanal.

Molecular Properties

Compound Name4-hydroxy-5-(2-undecylcyclopropyl)pentanal
PubChem CID173330405
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name4-hydroxy-5-(2-undecylcyclopropyl)pentanal
SMILESCCCCCCCCCCCC1CC1CC(O)CCC=O
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-12-17-15-18(17)16-19(21)13-11-14-20/h14,17-19,21H,2-13,15-16H2,1H3
InChIKeyDZLAEXYNZQFWFB-UHFFFAOYSA-N
XLogP5.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.27
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

13-[(1S,2R)-2-icosylcyclopropyl]tridecanal
CID 11295341
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
N-[(1R,2R)-2-[7-[4,5-dioctyl-2-(7-oxoheptyl)cyclohexyl]heptanoylamino]cyclohexyl]-12-hydroxyoctadecanamide
CID 88941525
10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid
CID 72752348
1-(2-chlorononyl)-2-hexylcyclopropane
CID 70489561
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
CID 91607184
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
2-[14-(2-hexatriacont-15-enylcyclopropyl)-1-hydroxytetradecyl]hexacosanoic acid
CID 162821800

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-undecylcyclopropyl)pentanal?
The IUPAC name of 4-hydroxy-5-(2-undecylcyclopropyl)pentanal (CID 173330405) is 4-hydroxy-5-(2-undecylcyclopropyl)pentanal.
What is the SMILES notation for 4-hydroxy-5-(2-undecylcyclopropyl)pentanal?
The canonical SMILES for 4-hydroxy-5-(2-undecylcyclopropyl)pentanal is CCCCCCCCCCCC1CC1CC(O)CCC=O.
What is the InChIKey of 4-hydroxy-5-(2-undecylcyclopropyl)pentanal?
The InChIKey is DZLAEXYNZQFWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-12-17-15-18(17)16-19(21)13-11-14-20/h14,17-19,21H,2-13,15-16H2,1H3.
What are the key properties of 4-hydroxy-5-(2-undecylcyclopropyl)pentanal?
4-hydroxy-5-(2-undecylcyclopropyl)pentanal has a molecular weight of 296.50 g/mol, XLogP of 5.27, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-undecylcyclopropyl)pentanal is sourced from PubChem (CID 173330405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).