3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)

C14H28 — CID 174260323

IUPAC3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.C=CC(C)(C)C
InChIInChI=1S/C6H12.2C4H8/c1-5-6(2,3)4;2*1-4(2)3/h5H,1H2,2-4H3;2*1H2,2-3H3
InChIKeyCVWBKZRJKBFEFQ-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.38
Rot. Bonds

About 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)

3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene) (PubChem CID 174260323) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene).

Molecular Properties

Compound Name3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
PubChem CID174260323
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.C=CC(C)(C)C
InChIInChI=1S/C6H12.2C4H8/c1-5-6(2,3)4;2*1-4(2)3/h5H,1H2,2-4H3;2*1H2,2-3H3
InChIKeyCVWBKZRJKBFEFQ-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
3,3-dimethylbut-1-ene;2-methylprop-2-enoic acid
CID 175316854
3-ethenyl-2,3-dimethylpenta-1,4-diene
CID 123897882
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
chloroethene;2-methylprop-1-ene
CID 87141348
3-ethyl-2,3-dimethylpenta-1,4-diene
CID 123241142
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane;tris(2-methylprop-1-ene)
CID 144520420
(3E)-2,5-dimethylhexa-3,5-dien-2-ol
CID 12625790
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
(E)-2,2,6,6-tetramethyl-5-methylidenehept-3-ene
CID 5463033

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)?
The IUPAC name of 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene) (CID 174260323) is 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene).
What is the SMILES notation for 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)?
The canonical SMILES for 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene) is C=C(C)C.C=C(C)C.C=CC(C)(C)C.
What is the InChIKey of 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)?
The InChIKey is CVWBKZRJKBFEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C4H8/c1-5-6(2,3)4;2*1-4(2)3/h5H,1H2,2-4H3;2*1H2,2-3H3.
What are the key properties of 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)?
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene) has a molecular weight of 196.38 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene) is sourced from PubChem (CID 174260323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).