(E)-2-ethyl-2-prop-2-enylhex-3-enal

C11H18O — CID 6365629

IUPAC(E)-2-ethyl-2-prop-2-enylhex-3-enal
SMILESC=CCC(C=O)(/C=C/CC)CC
InChIInChI=1S/C11H18O/c1-4-7-9-11(6-3,10-12)8-5-2/h5,7,9-10H,2,4,6,8H2,1,3H3/b9-7+
InChIKeyAGRIFDATABVSAA-VQHVLOKHSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds6

About (E)-2-ethyl-2-prop-2-enylhex-3-enal

(E)-2-ethyl-2-prop-2-enylhex-3-enal (PubChem CID 6365629) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (E)-2-ethyl-2-prop-2-enylhex-3-enal.

Molecular Properties

Compound Name(E)-2-ethyl-2-prop-2-enylhex-3-enal
PubChem CID6365629
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(E)-2-ethyl-2-prop-2-enylhex-3-enal
SMILESC=CCC(C=O)(/C=C/CC)CC
InChIInChI=1S/C11H18O/c1-4-7-9-11(6-3,10-12)8-5-2/h5,7,9-10H,2,4,6,8H2,1,3H3/b9-7+
InChIKeyAGRIFDATABVSAA-VQHVLOKHSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Decenal, (4Z)-
CID 5362620
4-Decenal
CID 61875
5-Decenal, (5Z)-
CID 13940628
4-Nonenal, (4E)-
CID 5283337
2,5-Dimethyl-2-vinyl-4-hexenal
CID 92018
5,9-Dimethyl-4,8-decadienal
CID 101854
1-Vinyl-3-cyclohexenecarbaldehyde
CID 89525526
4,7-Decadienal
CID 54099340
trans-4-Decen-1-al
CID 5702654
4-(1-Methylethyl)-1-cyclohexene-4-carboxaldehyde
CID 124202117
4,7-Decadienal, (4Z,7Z)-
CID 53249445
5-Decenal
CID 5283347

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-2-prop-2-enylhex-3-enal?
The IUPAC name of (E)-2-ethyl-2-prop-2-enylhex-3-enal (CID 6365629) is (E)-2-ethyl-2-prop-2-enylhex-3-enal.
What is the SMILES notation for (E)-2-ethyl-2-prop-2-enylhex-3-enal?
The canonical SMILES for (E)-2-ethyl-2-prop-2-enylhex-3-enal is C=CCC(C=O)(/C=C/CC)CC.
What is the InChIKey of (E)-2-ethyl-2-prop-2-enylhex-3-enal?
The InChIKey is AGRIFDATABVSAA-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18O/c1-4-7-9-11(6-3,10-12)8-5-2/h5,7,9-10H,2,4,6,8H2,1,3H3/b9-7+.
What are the key properties of (E)-2-ethyl-2-prop-2-enylhex-3-enal?
(E)-2-ethyl-2-prop-2-enylhex-3-enal has a molecular weight of 166.26 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-2-prop-2-enylhex-3-enal is sourced from PubChem (CID 6365629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).