2-propylpentanedial

C8H14O2 — CID 86120951

IUPAC2-propylpentanedial
SMILESCCCC(C=O)CCC=O
InChIInChI=1S/C8H14O2/c1-2-4-8(7-10)5-3-6-9/h6-8H,2-5H2,1H3
InChIKeyKPOWYHWMVHPFCO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.58
Rot. Bonds6

About 2-propylpentanedial

2-propylpentanedial (PubChem CID 86120951) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-propylpentanedial.

Molecular Properties

Compound Name2-propylpentanedial
PubChem CID86120951
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-propylpentanedial
SMILESCCCC(C=O)CCC=O
InChIInChI=1S/C8H14O2/c1-2-4-8(7-10)5-3-6-9/h6-8H,2-5H2,1H3
InChIKeyKPOWYHWMVHPFCO-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-ethylpentanal
CID 71368973
2-(2-chloroethyl)pentanal
CID 175205251
2-ethylpentanal;5-methylhexanal
CID 23315878
2-undecylpentadecanedial
CID 91207185
2-propyldodec-11-enal
CID 142653916
(5R)-6-methyl-2,5-dipropyloctanal
CID 143527461
5-methyl-2-propylhex-4-enal
CID 12923922
3-propylhex-4-enal
CID 71411188
(2R)-2-[tri(propan-2-yl)silyloxymethyl]pentanal
CID 101236071
(E)-2-propyltridec-4-enal
CID 118354645
3-formylhexyl acetate
CID 88900072
(4R)-4-methanimidoylhexanal
CID 174567624

Frequently Asked Questions

What is the IUPAC name of 2-propylpentanedial?
The IUPAC name of 2-propylpentanedial (CID 86120951) is 2-propylpentanedial.
What is the SMILES notation for 2-propylpentanedial?
The canonical SMILES for 2-propylpentanedial is CCCC(C=O)CCC=O.
What is the InChIKey of 2-propylpentanedial?
The InChIKey is KPOWYHWMVHPFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-8(7-10)5-3-6-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-propylpentanedial?
2-propylpentanedial has a molecular weight of 142.20 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentanedial is sourced from PubChem (CID 86120951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).