(E)-2-ethenyl-4-methylidenehex-2-enal

C9H12O — CID 142874155

IUPAC(E)-2-ethenyl-4-methylidenehex-2-enal
SMILESC=C/C(C=O)=C\C(=C)CC
InChIInChI=1S/C9H12O/c1-4-8(3)6-9(5-2)7-10/h5-7H,2-4H2,1H3/b9-6+
InChIKeySYCAQRMWNAXJQN-RMKNXTFCSA-N
MW136.19 g/mol
LogP2.26
Rot. Bonds4

About (E)-2-ethenyl-4-methylidenehex-2-enal

(E)-2-ethenyl-4-methylidenehex-2-enal (PubChem CID 142874155) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (E)-2-ethenyl-4-methylidenehex-2-enal.

Molecular Properties

Compound Name(E)-2-ethenyl-4-methylidenehex-2-enal
PubChem CID142874155
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(E)-2-ethenyl-4-methylidenehex-2-enal
SMILESC=C/C(C=O)=C\C(=C)CC
InChIInChI=1S/C9H12O/c1-4-8(3)6-9(5-2)7-10/h5-7H,2-4H2,1H3/b9-6+
InChIKeySYCAQRMWNAXJQN-RMKNXTFCSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal
CID 143311273
3-methylidenepent-1-ene
CID 18850
(2E)-2-ethenyl-5-methylhexa-2,5-dienal
CID 145355819
(2E,4Z)-2-ethenylhepta-2,4-dienal
CID 129060259
2-methyl-4-methylidenehex-2-enamide
CID 123970755
(2E)-2-ethenyl-6-methylhepta-2,5-dienal
CID 5369951
(E)-4-methylidenehex-2-ene-1,2-diol
CID 88543439
(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
CID 142945501
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide
CID 144553341
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal
CID 145060013

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-4-methylidenehex-2-enal?
The IUPAC name of (E)-2-ethenyl-4-methylidenehex-2-enal (CID 142874155) is (E)-2-ethenyl-4-methylidenehex-2-enal.
What is the SMILES notation for (E)-2-ethenyl-4-methylidenehex-2-enal?
The canonical SMILES for (E)-2-ethenyl-4-methylidenehex-2-enal is C=C/C(C=O)=C\C(=C)CC.
What is the InChIKey of (E)-2-ethenyl-4-methylidenehex-2-enal?
The InChIKey is SYCAQRMWNAXJQN-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H12O/c1-4-8(3)6-9(5-2)7-10/h5-7H,2-4H2,1H3/b9-6+.
What are the key properties of (E)-2-ethenyl-4-methylidenehex-2-enal?
(E)-2-ethenyl-4-methylidenehex-2-enal has a molecular weight of 136.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-4-methylidenehex-2-enal is sourced from PubChem (CID 142874155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).