6-cyclopropyl-4-oxohex-5-enal

C9H12O2 — CID 123628239

IUPAC6-cyclopropyl-4-oxohex-5-enal
SMILESO=CCCC(=O)C=CC1CC1
InChIInChI=1S/C9H12O2/c10-7-1-2-9(11)6-5-8-3-4-8/h5-8H,1-4H2
InChIKeyAQASJFQQJHDKQS-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.50
Rot. Bonds5

About 6-cyclopropyl-4-oxohex-5-enal

6-cyclopropyl-4-oxohex-5-enal (PubChem CID 123628239) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 6-cyclopropyl-4-oxohex-5-enal.

Molecular Properties

Compound Name6-cyclopropyl-4-oxohex-5-enal
PubChem CID123628239
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name6-cyclopropyl-4-oxohex-5-enal
SMILESO=CCCC(=O)C=CC1CC1
InChIInChI=1S/C9H12O2/c10-7-1-2-9(11)6-5-8-3-4-8/h5-8H,1-4H2
InChIKeyAQASJFQQJHDKQS-UHFFFAOYSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-cyclohexylhex-1-en-3-one
CID 14869895
2-methylpropyl (E)-3-(4-formylcyclohexyl)prop-2-enoate
CID 143209591
amino 3-cyclopropylprop-2-enoate
CID 174359993
1-(oxan-4-yl)non-1-en-3-one
CID 57065591
(E)-7-(dimethylamino)-4-oxohept-5-enal
CID 171529759
1-cyclopentyl-5-phenylpent-1-en-3-one;hydron
CID 174426915
1-(thian-4-yl)pent-1-en-3-one
CID 57285232
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal
CID 10913325
(E)-1-cyclohexyl-5-methylhex-1-en-3-one
CID 11333035
(E)-3-cyclopropyl-N-(cyclopropylmethyl)prop-2-enamide
CID 134349428
5-cyclopentyl-4-methylpent-4-enal
CID 78076892

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-oxohex-5-enal?
The IUPAC name of 6-cyclopropyl-4-oxohex-5-enal (CID 123628239) is 6-cyclopropyl-4-oxohex-5-enal.
What is the SMILES notation for 6-cyclopropyl-4-oxohex-5-enal?
The canonical SMILES for 6-cyclopropyl-4-oxohex-5-enal is O=CCCC(=O)C=CC1CC1.
What is the InChIKey of 6-cyclopropyl-4-oxohex-5-enal?
The InChIKey is AQASJFQQJHDKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-7-1-2-9(11)6-5-8-3-4-8/h5-8H,1-4H2.
What are the key properties of 6-cyclopropyl-4-oxohex-5-enal?
6-cyclopropyl-4-oxohex-5-enal has a molecular weight of 152.19 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-oxohex-5-enal is sourced from PubChem (CID 123628239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).