dec-1-yne

C10H18 — CID 12997

IUPACdec-1-yne
SMILESC#CCCCCCCCC
InChIInChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3
InChIKeyILLHQJIJCRNRCJ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.37
Rot. Bonds6

About dec-1-yne

dec-1-yne (PubChem CID 12997) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is dec-1-yne.

Molecular Properties

Compound Namedec-1-yne
PubChem CID12997
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namedec-1-yne
SMILESC#CCCCCCCCC
InChIInChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3
InChIKeyILLHQJIJCRNRCJ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.37
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

1-Octyne
CID 12370
1-Nonyne
CID 18937
1-Undecyne
CID 75249
1-Hexadecyne
CID 12396
1-Dodecyne
CID 69821
5-Dodecyne
CID 140583
1-Tetradecyne
CID 69823
1-Pentadecyne
CID 69825
1-Tridecyne
CID 117754
1-Octadecyne
CID 69425
2-Nonyne
CID 140536
3-Eicosyne
CID 549159

Frequently Asked Questions

What is the IUPAC name of dec-1-yne?
The IUPAC name of dec-1-yne (CID 12997) is dec-1-yne.
What is the SMILES notation for dec-1-yne?
The canonical SMILES for dec-1-yne is C#CCCCCCCCC.
What is the InChIKey of dec-1-yne?
The InChIKey is ILLHQJIJCRNRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3.
What are the key properties of dec-1-yne?
dec-1-yne has a molecular weight of 138.25 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-yne is sourced from PubChem (CID 12997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).