3-methylbuta-1,2-diene

C5H8 — CID 11714

IUPAC3-methylbuta-1,2-diene
SMILESC=C=C(C)C
InChIInChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3
InChIKeyPAKGDPSCXSUALC-UHFFFAOYSA-N
MW68.12 g/mol
LogP1.74
Rot. Bonds

About 3-methylbuta-1,2-diene

3-methylbuta-1,2-diene (PubChem CID 11714) has the molecular formula C5H8 and a molecular weight of 68.12 g/mol. Its IUPAC name is 3-methylbuta-1,2-diene.

Molecular Properties

Compound Name3-methylbuta-1,2-diene
PubChem CID11714
Molecular FormulaC5H8
Molecular Weight68.12 g/mol
Exact Mass68.06
IUPAC Name3-methylbuta-1,2-diene
SMILESC=C=C(C)C
InChIInChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3
InChIKeyPAKGDPSCXSUALC-UHFFFAOYSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.12
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Isobutylene
CID 8255
2,3-Dimethyl-2-butene
CID 11250
2,4-Dimethylpenta-2,3-diene
CID 66081
3-Methyl-1,2-pentadiene
CID 81912
2,3,4-Hexatriene, 2,5-dimethyl-
CID 137599
2,3-Pentadiene, 2-methyl-
CID 137807
Ethene;2-methylprop-1-ene
CID 91362200
CID 21627814
CID 21627814
Isobutylene-13C4
CID 11990935
1,1,1,4,4,4-Hexadeuterio-2,3-bis(trideuteriomethyl)but-2-ene
CID 12204180
CID 134832871
CID 134832871
CID 5475782
CID 5475782

Frequently Asked Questions

What is the IUPAC name of 3-methylbuta-1,2-diene?
The IUPAC name of 3-methylbuta-1,2-diene (CID 11714) is 3-methylbuta-1,2-diene.
What is the SMILES notation for 3-methylbuta-1,2-diene?
The canonical SMILES for 3-methylbuta-1,2-diene is C=C=C(C)C.
What is the InChIKey of 3-methylbuta-1,2-diene?
The InChIKey is PAKGDPSCXSUALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3.
What are the key properties of 3-methylbuta-1,2-diene?
3-methylbuta-1,2-diene has a molecular weight of 68.12 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbuta-1,2-diene is sourced from PubChem (CID 11714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).