2,3-dimethylbuta-1,3-diene;ethane

C8H16 — CID 156868132

IUPAC2,3-dimethylbuta-1,3-diene;ethane
SMILESC=C(C)C(=C)C.CC
InChIInChI=1S/C6H10.C2H6/c1-5(2)6(3)4;1-2/h1,3H2,2,4H3;1-2H3
InChIKeyIPBYHQYLMWPQQP-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.16
Rot. Bonds1

About 2,3-dimethylbuta-1,3-diene;ethane

2,3-dimethylbuta-1,3-diene;ethane (PubChem CID 156868132) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 2,3-dimethylbuta-1,3-diene;ethane.

Molecular Properties

Compound Name2,3-dimethylbuta-1,3-diene;ethane
PubChem CID156868132
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name2,3-dimethylbuta-1,3-diene;ethane
SMILESC=C(C)C(=C)C.CC
InChIInChI=1S/C6H10.C2H6/c1-5(2)6(3)4;1-2/h1,3H2,2,4H3;1-2H3
InChIKeyIPBYHQYLMWPQQP-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;tris(2-methylprop-1-ene)
CID 144520420
prop-1-ene-2-tellurol
CID 102012383
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
CID 101067560
CID 101067560
2,4-dimethyl-3-methylidenepenta-1,4-diene
CID 12913413
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
2,4-dimethyl-3-prop-1-en-2-ylpenta-1,3-diene
CID 142833996
butane;ethane;2-methylprop-1-ene
CID 142168819
lithium;hydride;2-methylprop-1-ene
CID 174274839
CID 88736476
CID 88736476

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbuta-1,3-diene;ethane?
The IUPAC name of 2,3-dimethylbuta-1,3-diene;ethane (CID 156868132) is 2,3-dimethylbuta-1,3-diene;ethane.
What is the SMILES notation for 2,3-dimethylbuta-1,3-diene;ethane?
The canonical SMILES for 2,3-dimethylbuta-1,3-diene;ethane is C=C(C)C(=C)C.CC.
What is the InChIKey of 2,3-dimethylbuta-1,3-diene;ethane?
The InChIKey is IPBYHQYLMWPQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C2H6/c1-5(2)6(3)4;1-2/h1,3H2,2,4H3;1-2H3.
What are the key properties of 2,3-dimethylbuta-1,3-diene;ethane?
2,3-dimethylbuta-1,3-diene;ethane has a molecular weight of 112.22 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbuta-1,3-diene;ethane is sourced from PubChem (CID 156868132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).