6-oxo-3-prop-1-en-2-ylheptanal

C10H16O2 — CID 3014538

IUPAC6-oxo-3-prop-1-en-2-ylheptanal
SMILESC=C(C)C(CC=O)CCC(C)=O
InChIInChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3
InChIKeyOGCGCISRMFSLTC-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.14
Rot. Bonds6

About 6-oxo-3-prop-1-en-2-ylheptanal

6-oxo-3-prop-1-en-2-ylheptanal (PubChem CID 3014538) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-oxo-3-prop-1-en-2-ylheptanal.

Molecular Properties

Compound Name6-oxo-3-prop-1-en-2-ylheptanal
PubChem CID3014538
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-oxo-3-prop-1-en-2-ylheptanal
SMILESC=C(C)C(CC=O)CCC(C)=O
InChIInChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3
InChIKeyOGCGCISRMFSLTC-UHFFFAOYSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-prop-1-en-2-ylheptanal?
The IUPAC name of 6-oxo-3-prop-1-en-2-ylheptanal (CID 3014538) is 6-oxo-3-prop-1-en-2-ylheptanal.
What is the SMILES notation for 6-oxo-3-prop-1-en-2-ylheptanal?
The canonical SMILES for 6-oxo-3-prop-1-en-2-ylheptanal is C=C(C)C(CC=O)CCC(C)=O.
What is the InChIKey of 6-oxo-3-prop-1-en-2-ylheptanal?
The InChIKey is OGCGCISRMFSLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3.
What are the key properties of 6-oxo-3-prop-1-en-2-ylheptanal?
6-oxo-3-prop-1-en-2-ylheptanal has a molecular weight of 168.24 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-prop-1-en-2-ylheptanal is sourced from PubChem (CID 3014538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).