hexadeca-3,9-diyne

C16H26 — CID 54568863

IUPAChexadeca-3,9-diyne
SMILESCCC#CCCCCC#CCCCCCC
InChIInChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-5,7,9-12,14,16H2,1-2H3
InChIKeyXLZYYDUPDDCHIB-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.93
Rot. Bonds7

About hexadeca-3,9-diyne

hexadeca-3,9-diyne (PubChem CID 54568863) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is hexadeca-3,9-diyne.

Molecular Properties

Compound Namehexadeca-3,9-diyne
PubChem CID54568863
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Namehexadeca-3,9-diyne
SMILESCCC#CCCCCC#CCCCCCC
InChIInChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-5,7,9-12,14,16H2,1-2H3
InChIKeyXLZYYDUPDDCHIB-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.93
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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Related Compounds

hexacos-3-yne
CID 22223851
henicos-8-yne
CID 22224321
methane;bis(oct-3-yne)
CID 159540057
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
carbonic acid;non-3-yne
CID 87169900
10-methylheptadec-3-yne
CID 22224077
icosa-5,8,11-triyne
CID 139696043
dodec-9-ynoxy-diethyl-undecoxysilane
CID 91737547
carbonic acid;tetradec-7-yne
CID 90353944
1-bromodocos-2-yne
CID 172558886
octadec-5-yn-1-amine
CID 87547791

Frequently Asked Questions

What is the IUPAC name of hexadeca-3,9-diyne?
The IUPAC name of hexadeca-3,9-diyne (CID 54568863) is hexadeca-3,9-diyne.
What is the SMILES notation for hexadeca-3,9-diyne?
The canonical SMILES for hexadeca-3,9-diyne is CCC#CCCCCC#CCCCCCC.
What is the InChIKey of hexadeca-3,9-diyne?
The InChIKey is XLZYYDUPDDCHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-5,7,9-12,14,16H2,1-2H3.
What are the key properties of hexadeca-3,9-diyne?
hexadeca-3,9-diyne has a molecular weight of 218.38 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-3,9-diyne is sourced from PubChem (CID 54568863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).