acetaldehyde;cyclopenta-1,3-diene;ethane

C9H16O — CID 91335250

IUPACacetaldehyde;cyclopenta-1,3-diene;ethane
SMILESC1=CCC=C1.CC.CC=O
InChIInChI=1S/C5H6.C2H4O.C2H6/c1-2-4-5-3-1;1-2-3;1-2/h1-4H,5H2;2H,1H3;1-2H3
InChIKeySZRJFYZLLFYKAO-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds

About acetaldehyde;cyclopenta-1,3-diene;ethane

acetaldehyde;cyclopenta-1,3-diene;ethane (PubChem CID 91335250) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is acetaldehyde;cyclopenta-1,3-diene;ethane.

Molecular Properties

Compound Nameacetaldehyde;cyclopenta-1,3-diene;ethane
PubChem CID91335250
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Nameacetaldehyde;cyclopenta-1,3-diene;ethane
SMILESC1=CCC=C1.CC.CC=O
InChIInChI=1S/C5H6.C2H4O.C2H6/c1-2-4-5-3-1;1-2-3;1-2/h1-4H,5H2;2H,1H3;1-2H3
InChIKeySZRJFYZLLFYKAO-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
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

(3Z,6Z)-Nona-3,6-dienal
CID 5352808
2,4,6-Nonatrienal, (2E,4E,6E)-
CID 15755823
Deca-2,4,7-trienal
CID 181747
2,4,7-Decatrienal
CID 5283352
2,4,7-Decatrienal, (2E,4E,7Z)-
CID 6442642
2,4,6-Nonatrienal
CID 6436625
(2e,4z,7z)-2,4,7-Decatrienal
CID 6442636
2,4,6-Nonatrienal, (2E,4E,6Z)-
CID 44256565
2,4,6,8-Undecatetraenal
CID 6440321
3,6-Nonadienal
CID 5283340
2,4,6-Nonatrienal, (E,Z,Z)-
CID 44256566
Nona-3,6-dienal
CID 519906

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;cyclopenta-1,3-diene;ethane?
The IUPAC name of acetaldehyde;cyclopenta-1,3-diene;ethane (CID 91335250) is acetaldehyde;cyclopenta-1,3-diene;ethane.
What is the SMILES notation for acetaldehyde;cyclopenta-1,3-diene;ethane?
The canonical SMILES for acetaldehyde;cyclopenta-1,3-diene;ethane is C1=CCC=C1.CC.CC=O.
What is the InChIKey of acetaldehyde;cyclopenta-1,3-diene;ethane?
The InChIKey is SZRJFYZLLFYKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C2H4O.C2H6/c1-2-4-5-3-1;1-2-3;1-2/h1-4H,5H2;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;cyclopenta-1,3-diene;ethane?
acetaldehyde;cyclopenta-1,3-diene;ethane has a molecular weight of 140.23 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;cyclopenta-1,3-diene;ethane is sourced from PubChem (CID 91335250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).