2-Methyl-3-pentenal

CAT: 1299-RG-E141596-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E141596-01Size:10 mg

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CAS Number

27819-15-4

Synonyms

2-methylpent-3-enal

Molecular Formula

C6H10O

Molecular Weight

98.15

Chemical Information

2-Methylpent-3-enal

CAS Number	27819-15-4
PubChem CID	56626368
IUPAC Name	2-methylpent-3-enal
Molecular Formula	C6H10O
Molecular Weight	98.14
XLogP	1.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	74

SMILES

CC=CC(C)C=O

InChI

InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3-6H,1-2H3

InChIKey

XPEUZQZUXGOBSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27819-15-4

CID: 56626368

Formula: C6H10O

MW: 98.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.14
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	98.073164938
Monoisotopic Mass	98.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	74.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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