hex-2-ene

C6H12 — CID 19966

IUPAChex-2-ene
SMILESCC=CCCC
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3
InChIKeyRYPKRALMXUUNKS-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.36
Rot. Bonds2

About hex-2-ene

hex-2-ene (PubChem CID 19966) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is hex-2-ene.

Molecular Properties

Compound Namehex-2-ene
PubChem CID19966
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Namehex-2-ene
SMILESCC=CCCC
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3
InChIKeyRYPKRALMXUUNKS-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.36
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-Pentene
CID 8004
1,5-Cyclooctadiene
CID 82916
trans-2-Pentene
CID 5326161
Cyclopentene
CID 8882
4-Methyl-2-pentene, (2Z)-
CID 5326159
cis-2-PENTENE
CID 5326160
1,4-Hexadiene
CID 11599
1,5,9-Cyclododecatriene
CID 12668
3-Heptene
CID 11612
Pent-2-ene
CID 12585
Hexene
CID 639661
2-Heptene
CID 11611

Frequently Asked Questions

What is the IUPAC name of hex-2-ene?
The IUPAC name of hex-2-ene (CID 19966) is hex-2-ene.
What is the SMILES notation for hex-2-ene?
The canonical SMILES for hex-2-ene is CC=CCCC.
What is the InChIKey of hex-2-ene?
The InChIKey is RYPKRALMXUUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3.
What are the key properties of hex-2-ene?
hex-2-ene has a molecular weight of 84.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-ene is sourced from PubChem (CID 19966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).