(111C)pent-1-ene

C5H10 — CID 177423582

IUPAC(111C)pent-1-ene
SMILESCCCC=[11CH2]
InChIInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3/i1-1
InChIKeyYWAKXRMUMFPDSH-BJUDXGSMSA-N
MW69.14 g/mol
LogP1.97
Rot. Bonds2

About (111C)pent-1-ene

(111C)pent-1-ene (PubChem CID 177423582) has the molecular formula C5H10 and a molecular weight of 69.14 g/mol. Its IUPAC name is (111C)pent-1-ene.

Molecular Properties

Compound Name(111C)pent-1-ene
PubChem CID177423582
Molecular FormulaC5H10
Molecular Weight69.14 g/mol
Exact Mass69.09
IUPAC Name(111C)pent-1-ene
SMILESCCCC=[11CH2]
InChIInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3/i1-1
InChIKeyYWAKXRMUMFPDSH-BJUDXGSMSA-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 ≤ 50069.14
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

CID 175109121
CID 175109121
butane;ethene;pent-1-ene
CID 177174553
ethane;pent-1-ene;propane
CID 162735255
but-1-ene;ethene;pent-1-ene
CID 140771113
decane;pent-1-ene
CID 159058331
ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611
pent-1-ene nitrite
CID 18006221
isocyanic acid;bis(pent-1-ene)
CID 173231013
pent-1-ene nitrate
CID 18787917
ethane;ethene;2-methylprop-1-ene;pent-1-ene
CID 172567576
hex-1-ene;oct-1-ene;pent-1-ene
CID 174703469
bis(pent-1-ene);pent-2-ene
CID 158608078

Frequently Asked Questions

What is the IUPAC name of (111C)pent-1-ene?
The IUPAC name of (111C)pent-1-ene (CID 177423582) is (111C)pent-1-ene.
What is the SMILES notation for (111C)pent-1-ene?
The canonical SMILES for (111C)pent-1-ene is CCCC=[11CH2].
What is the InChIKey of (111C)pent-1-ene?
The InChIKey is YWAKXRMUMFPDSH-BJUDXGSMSA-N. The full InChI is InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3/i1-1.
What are the key properties of (111C)pent-1-ene?
(111C)pent-1-ene has a molecular weight of 69.14 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 (111C)pent-1-ene is sourced from PubChem (CID 177423582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).