3-propylheptanal

C10H20O — CID 12639871

IUPAC3-propylheptanal
SMILESCCCCC(CC=O)CCC
InChIInChI=1S/C10H20O/c1-3-5-7-10(6-4-2)8-9-11/h9-10H,3-8H2,1-2H3
InChIKeyKHASYKYJBLWJMU-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.18
Rot. Bonds7

About 3-propylheptanal

3-propylheptanal (PubChem CID 12639871) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-propylheptanal.

Molecular Properties

Compound Name3-propylheptanal
PubChem CID12639871
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-propylheptanal
SMILESCCCCC(CC=O)CCC
InChIInChI=1S/C10H20O/c1-3-5-7-10(6-4-2)8-9-11/h9-10H,3-8H2,1-2H3
InChIKeyKHASYKYJBLWJMU-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-propylnonanal
CID 54180960
3-nonyldodecanal
CID 142613821
3-ethylhexanal
CID 15829179
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
7-methyl-3-pentyloct-6-enal
CID 21430179
12-oxo-3-pentyldodec-11-enal
CID 88697935
4-butyloctanal;titanium
CID 175088006
(3S)-3-hydroxyheptanal
CID 15258469
7-propyldodecanal
CID 21439180
2-[3-(2-oxoethyl)hexyl]guanidine
CID 143358791
magnesium;hydride;5-propyloctanal
CID 173415253

Frequently Asked Questions

What is the IUPAC name of 3-propylheptanal?
The IUPAC name of 3-propylheptanal (CID 12639871) is 3-propylheptanal.
What is the SMILES notation for 3-propylheptanal?
The canonical SMILES for 3-propylheptanal is CCCCC(CC=O)CCC.
What is the InChIKey of 3-propylheptanal?
The InChIKey is KHASYKYJBLWJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-7-10(6-4-2)8-9-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-propylheptanal?
3-propylheptanal has a molecular weight of 156.27 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylheptanal is sourced from PubChem (CID 12639871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).