1-chloropentadeca-5,10-diyne

C15H23Cl — CID 560942

IUPAC1-chloropentadeca-5,10-diyne
SMILESCCCCC#CCCCC#CCCCCCl
InChIInChI=1S/C15H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-4,7-9,12-15H2,1H3
InChIKeyFQYWVTNBKHUSTH-UHFFFAOYSA-N
MW238.80 g/mol
LogP4.76
Rot. Bonds7

About 1-chloropentadeca-5,10-diyne

1-chloropentadeca-5,10-diyne (PubChem CID 560942) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 1-chloropentadeca-5,10-diyne.

Molecular Properties

Compound Name1-chloropentadeca-5,10-diyne
PubChem CID560942
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name1-chloropentadeca-5,10-diyne
SMILESCCCCC#CCCCC#CCCCCCl
InChIInChI=1S/C15H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-4,7-9,12-15H2,1H3
InChIKeyFQYWVTNBKHUSTH-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.80
LogP ≤ 54.76
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

16-chlorohexadeca-6,9-diyne
CID 15606230
pentadeca-5,10-diyne
CID 15530767
tetradeca-4,9-diyne
CID 173328648
1,10-dichlorodec-4-yne
CID 131855831
pentadeca-5,10-diyn-1-ol
CID 560933
henicos-8-yne
CID 22224321
trideca-2,8-diyne
CID 90921383
1-chloropentane;2-methylpropane
CID 174338226
icosa-5,8,11-triyne
CID 139696043
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;pentadecane
CID 174295582

Frequently Asked Questions

What is the IUPAC name of 1-chloropentadeca-5,10-diyne?
The IUPAC name of 1-chloropentadeca-5,10-diyne (CID 560942) is 1-chloropentadeca-5,10-diyne.
What is the SMILES notation for 1-chloropentadeca-5,10-diyne?
The canonical SMILES for 1-chloropentadeca-5,10-diyne is CCCCC#CCCCC#CCCCCCl.
What is the InChIKey of 1-chloropentadeca-5,10-diyne?
The InChIKey is FQYWVTNBKHUSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-4,7-9,12-15H2,1H3.
What are the key properties of 1-chloropentadeca-5,10-diyne?
1-chloropentadeca-5,10-diyne has a molecular weight of 238.80 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentadeca-5,10-diyne is sourced from PubChem (CID 560942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).