10-chlorodec-3-en-5-yne

C10H15Cl — CID 141439405

IUPAC10-chlorodec-3-en-5-yne
SMILESCCC=CC#CCCCCCl
InChIInChI=1S/C10H15Cl/c1-2-3-4-5-6-7-8-9-10-11/h3-4H,2,7-10H2,1H3
InChIKeyUCLOUFQTOXZOCZ-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.37
Rot. Bonds4

About 10-chlorodec-3-en-5-yne

10-chlorodec-3-en-5-yne (PubChem CID 141439405) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 10-chlorodec-3-en-5-yne.

Molecular Properties

Compound Name10-chlorodec-3-en-5-yne
PubChem CID141439405
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name10-chlorodec-3-en-5-yne
SMILESCCC=CC#CCCCCCl
InChIInChI=1S/C10H15Cl/c1-2-3-4-5-6-7-8-9-10-11/h3-4H,2,7-10H2,1H3
InChIKeyUCLOUFQTOXZOCZ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-undec-3-en-5-yne
CID 5367449
(Z)-heptadec-3-en-5-yne
CID 5367448
(Z)-oct-3-en-5-yne
CID 5367081
hexadec-13-en-11-ynyl acetate
CID 73165417
(Z)-heptadec-8-en-6-yne
CID 101260338
1-chloropentadeca-5,10-diyne
CID 560942
hept-4-en-2-yn-1-ol
CID 54212418
1-iodonon-1-en-3-yne
CID 71425479
(Z)-1-chlorodec-1-en-3-yne
CID 124646971
1,10-dichlorodec-4-yne
CID 131855831
dec-2-en-4-yne
CID 54142868
(E)-tridec-4-en-6-yn-1-ol
CID 15420486

Frequently Asked Questions

What is the IUPAC name of 10-chlorodec-3-en-5-yne?
The IUPAC name of 10-chlorodec-3-en-5-yne (CID 141439405) is 10-chlorodec-3-en-5-yne.
What is the SMILES notation for 10-chlorodec-3-en-5-yne?
The canonical SMILES for 10-chlorodec-3-en-5-yne is CCC=CC#CCCCCCl.
What is the InChIKey of 10-chlorodec-3-en-5-yne?
The InChIKey is UCLOUFQTOXZOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-2-3-4-5-6-7-8-9-10-11/h3-4H,2,7-10H2,1H3.
What are the key properties of 10-chlorodec-3-en-5-yne?
10-chlorodec-3-en-5-yne has a molecular weight of 170.68 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorodec-3-en-5-yne is sourced from PubChem (CID 141439405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).