hex-3-ene

C6H12 — CID 11601

IUPAChex-3-ene
SMILESCCC=CCC
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3
InChIKeyZQDPJFUHLCOCRG-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.36
Rot. Bonds2

About hex-3-ene

hex-3-ene (PubChem CID 11601) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is hex-3-ene.

Molecular Properties

Compound Namehex-3-ene
PubChem CID11601
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Namehex-3-ene
SMILESCCC=CCC
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3
InChIKeyZQDPJFUHLCOCRG-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-Butene
CID 7844
trans-2-Pentene
CID 5326161
4-Methyl-2-pentene, (2Z)-
CID 5326159
cis-2-PENTENE
CID 5326160
1,4-Hexadiene
CID 11599
3-Heptene
CID 11612
Hex-2-ene
CID 19966
Pent-2-ene
CID 12585
Pentylene
CID 32932
1-Pentene 2-pentene
CID 19097016
Hexene
CID 639661
1,4-Hexadiene, 4-methyl-, cis-
CID 5367525

Frequently Asked Questions

What is the IUPAC name of hex-3-ene?
The IUPAC name of hex-3-ene (CID 11601) is hex-3-ene.
What is the SMILES notation for hex-3-ene?
The canonical SMILES for hex-3-ene is CCC=CCC.
What is the InChIKey of hex-3-ene?
The InChIKey is ZQDPJFUHLCOCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of hex-3-ene?
hex-3-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-3-ene is sourced from PubChem (CID 11601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).