methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal

C10H16O2 — CID 142143144

IUPACmethanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal
SMILESC=C(C)/C=C(C=O)\C=C/C.CO
InChIInChI=1S/C9H12O.CH4O/c1-4-5-9(7-10)6-8(2)3;1-2/h4-7H,2H2,1,3H3;2H,1H3/b5-4-,9-6+;
InChIKeyFXISTJXRWXUCQD-QKPHYRDRSA-N
MW168.24 g/mol
LogP1.87
Rot. Bonds3

About methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal

methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal (PubChem CID 142143144) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal.

Molecular Properties

Compound Namemethanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal
PubChem CID142143144
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal
SMILESC=C(C)/C=C(C=O)\C=C/C.CO
InChIInChI=1S/C9H12O.CH4O/c1-4-5-9(7-10)6-8(2)3;1-2/h4-7H,2H2,1,3H3;2H,1H3/b5-4-,9-6+;
InChIKeyFXISTJXRWXUCQD-QKPHYRDRSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-5-methyl-4-oxo-2-[(Z)-prop-1-enyl]hex-2-enal
CID 176943178
2-methyl(113C)prop-2-enal
CID 71749931
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
but-2-enal;2-methylprop-2-enal
CID 173455784
methyl thiohypofluorite;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienal
CID 142138800
(3E)-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 142105650
2-[(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienylidene]propanedial
CID 142006817
benzene;2-methylprop-2-enal
CID 87152273
N-[(Z)-pent-3-en-2-ylidene]formamide
CID 146239104
(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274

Frequently Asked Questions

What is the IUPAC name of methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal?
The IUPAC name of methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal (CID 142143144) is methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal.
What is the SMILES notation for methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal?
The canonical SMILES for methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal is C=C(C)/C=C(C=O)\C=C/C.CO.
What is the InChIKey of methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal?
The InChIKey is FXISTJXRWXUCQD-QKPHYRDRSA-N. The full InChI is InChI=1S/C9H12O.CH4O/c1-4-5-9(7-10)6-8(2)3;1-2/h4-7H,2H2,1,3H3;2H,1H3/b5-4-,9-6+;.
What are the key properties of methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal?
methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal has a molecular weight of 168.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal is sourced from PubChem (CID 142143144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).