hex-1-yne

C6H10 — CID 12732

IUPAChex-1-yne
SMILESC#CCCCC
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
InChIKeyCGHIBGNXEGJPQZ-UHFFFAOYSA-N
MW82.15 g/mol
LogP1.81
Rot. Bonds2

About hex-1-yne

hex-1-yne (PubChem CID 12732) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is hex-1-yne.

Molecular Properties

Compound Namehex-1-yne
PubChem CID12732
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Namehex-1-yne
SMILESC#CCCCC
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
InChIKeyCGHIBGNXEGJPQZ-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-1-yne?
The IUPAC name of hex-1-yne (CID 12732) is hex-1-yne.
What is the SMILES notation for hex-1-yne?
The canonical SMILES for hex-1-yne is C#CCCCC.
What is the InChIKey of hex-1-yne?
The InChIKey is CGHIBGNXEGJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3.
What are the key properties of hex-1-yne?
hex-1-yne has a molecular weight of 82.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-yne is sourced from PubChem (CID 12732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).