hex-3-yne

C6H10 — CID 13568

IUPAChex-3-yne
SMILESCCC#CCC
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3
InChIKeyDQQNMIPXXNPGCV-UHFFFAOYSA-N
MW82.15 g/mol
LogP1.81
Rot. Bonds

About hex-3-yne

hex-3-yne (PubChem CID 13568) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is hex-3-yne.

Molecular Properties

Compound Namehex-3-yne
PubChem CID13568
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Namehex-3-yne
SMILESCCC#CCC
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3
InChIKeyDQQNMIPXXNPGCV-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Pentyne
CID 12309
2-Hexyne
CID 33629
1-Hexyne
CID 12732
2-Pentyne
CID 12310
3,5-Octadiyne
CID 140066
4-Octyne
CID 16029
Hept-3-yne
CID 75755
Oct-3-yne
CID 84849
Hept-2-yne
CID 14245
2,6-Octadiyne
CID 136585
4,4-Dimethyl-2-pentyne
CID 136786
4-Methyl-2-pentyne
CID 140789

Frequently Asked Questions

What is the IUPAC name of hex-3-yne?
The IUPAC name of hex-3-yne (CID 13568) is hex-3-yne.
What is the SMILES notation for hex-3-yne?
The canonical SMILES for hex-3-yne is CCC#CCC.
What is the InChIKey of hex-3-yne?
The InChIKey is DQQNMIPXXNPGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3.
What are the key properties of hex-3-yne?
hex-3-yne has a molecular weight of 82.15 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-yne is sourced from PubChem (CID 13568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).