propane;2,4,4-trimethylpent-1-ene

C11H24 — CID 145388380

IUPACpropane;2,4,4-trimethylpent-1-ene
SMILESC=C(C)CC(C)(C)C.CCC
InChIInChI=1S/C8H16.C3H8/c1-7(2)6-8(3,4)5;1-3-2/h1,6H2,2-5H3;3H2,1-2H3
InChIKeyZQRZSJIYFLFQPU-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.41
Rot. Bonds1

About propane;2,4,4-trimethylpent-1-ene

propane;2,4,4-trimethylpent-1-ene (PubChem CID 145388380) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is propane;2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Namepropane;2,4,4-trimethylpent-1-ene
PubChem CID145388380
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Namepropane;2,4,4-trimethylpent-1-ene
SMILESC=C(C)CC(C)(C)C.CCC
InChIInChI=1S/C8H16.C3H8/c1-7(2)6-8(3,4)5;1-3-2/h1,6H2,2-5H3;3H2,1-2H3
InChIKeyZQRZSJIYFLFQPU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.41
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

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CID 160601103
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1,3-diethylbenzene;2,4,4-trimethylpent-1-ene
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3,5-dimethylhex-5-en-3-ol
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2,2-dimethylpropane;2-methylbut-1-ene
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2,4,4,6,6,8,8-heptamethylnon-1-ene
CID 545785
bis(2-methylprop-1-ene);propane
CID 159493997
ethane;ethanol;N,2,2,4-tetramethylpent-4-en-1-amine
CID 166167866
2,4-dimethylhept-1-en-4-amine
CID 152808962
CID 57417970
CID 57417970
3,3,5-trimethylhex-5-en-2-one
CID 22159646

Frequently Asked Questions

What is the IUPAC name of propane;2,4,4-trimethylpent-1-ene?
The IUPAC name of propane;2,4,4-trimethylpent-1-ene (CID 145388380) is propane;2,4,4-trimethylpent-1-ene.
What is the SMILES notation for propane;2,4,4-trimethylpent-1-ene?
The canonical SMILES for propane;2,4,4-trimethylpent-1-ene is C=C(C)CC(C)(C)C.CCC.
What is the InChIKey of propane;2,4,4-trimethylpent-1-ene?
The InChIKey is ZQRZSJIYFLFQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C3H8/c1-7(2)6-8(3,4)5;1-3-2/h1,6H2,2-5H3;3H2,1-2H3.
What are the key properties of propane;2,4,4-trimethylpent-1-ene?
propane;2,4,4-trimethylpent-1-ene has a molecular weight of 156.31 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 145388380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).