1,1-dideuteriopent-1-ene

C5H10 — CID 90475000

IUPAC1,1-dideuteriopent-1-ene
SMILES[2H]C([2H])=CCCC
InChIInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3/i1D2
InChIKeyYWAKXRMUMFPDSH-DICFDUPASA-N
MW72.15 g/mol
LogP1.97
Rot. Bonds2

About 1,1-dideuteriopent-1-ene

1,1-dideuteriopent-1-ene (PubChem CID 90475000) has the molecular formula C5H10 and a molecular weight of 72.15 g/mol. Its IUPAC name is 1,1-dideuteriopent-1-ene.

Molecular Properties

Compound Name1,1-dideuteriopent-1-ene
PubChem CID90475000
Molecular FormulaC5H10
Molecular Weight72.15 g/mol
Exact Mass72.09
IUPAC Name1,1-dideuteriopent-1-ene
SMILES[2H]C([2H])=CCCC
InChIInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3/i1D2
InChIKeyYWAKXRMUMFPDSH-DICFDUPASA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.15
LogP ≤ 51.97
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

(111C)pent-1-ene
CID 177423582
but-1-ene;ethene;pent-1-ene
CID 140771113
CID 175109121
CID 175109121
butane;ethene;pent-1-ene
CID 177174553
ethane;pent-1-ene;propane
CID 162735255
decane;pent-1-ene
CID 159058331
ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611
but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
CID 173073826
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene
CID 174805110
butane;bis(but-1-ene)
CID 160596310
ethane;ethene;2-methylprop-1-ene;pent-1-ene
CID 172567576
isocyanic acid;bis(pent-1-ene)
CID 173231013

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuteriopent-1-ene?
The IUPAC name of 1,1-dideuteriopent-1-ene (CID 90475000) is 1,1-dideuteriopent-1-ene.
What is the SMILES notation for 1,1-dideuteriopent-1-ene?
The canonical SMILES for 1,1-dideuteriopent-1-ene is [2H]C([2H])=CCCC.
What is the InChIKey of 1,1-dideuteriopent-1-ene?
The InChIKey is YWAKXRMUMFPDSH-DICFDUPASA-N. The full InChI is InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3/i1D2.
What are the key properties of 1,1-dideuteriopent-1-ene?
1,1-dideuteriopent-1-ene has a molecular weight of 72.15 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuteriopent-1-ene is sourced from PubChem (CID 90475000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).