pent-1-ene

C5H10 — CID 8004

IUPACpent-1-ene
SMILESC=CCCC
InChIInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
InChIKeyYWAKXRMUMFPDSH-UHFFFAOYSA-N
MW70.14 g/mol
LogP1.97
Rot. Bonds2

About pent-1-ene

pent-1-ene (PubChem CID 8004) has the molecular formula C5H10 and a molecular weight of 70.14 g/mol. Its IUPAC name is pent-1-ene.

Molecular Properties

Compound Namepent-1-ene
PubChem CID8004
Molecular FormulaC5H10
Molecular Weight70.14 g/mol
Exact Mass70.08
IUPAC Namepent-1-ene
SMILESC=CCCC
InChIInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
InChIKeyYWAKXRMUMFPDSH-UHFFFAOYSA-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 ≤ 50070.14
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

1-Hexene
CID 11597
1-Heptene
CID 11610
1-Butene
CID 7844
3-Methyl-1-butene
CID 11239
1,5-Hexadiene
CID 11598
4-Methyl-1-pentene
CID 12724
3-Heptene
CID 11612
Hex-2-ene
CID 19966
Hexene
CID 639661
2-Methyl-1,4-pentadiene
CID 12987
2-Hexene, (2Z)-
CID 643835
3-Heptene, (3Z)-
CID 5357258

Frequently Asked Questions

What is the IUPAC name of pent-1-ene?
The IUPAC name of pent-1-ene (CID 8004) is pent-1-ene.
What is the SMILES notation for pent-1-ene?
The canonical SMILES for pent-1-ene is C=CCCC.
What is the InChIKey of pent-1-ene?
The InChIKey is YWAKXRMUMFPDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3.
What are the key properties of pent-1-ene?
pent-1-ene has a molecular weight of 70.14 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 pent-1-ene is sourced from PubChem (CID 8004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).