cycloundec-1-en-5-yne

C11H16 — CID 90875590

IUPACcycloundec-1-en-5-yne
SMILESC1#CCCCCCC=CCC1
InChIInChI=1S/C11H16/c1-2-4-6-8-10-11-9-7-5-3-1/h1-2H,3-7,9,11H2
InChIKeyXJLSYPSXKWLNMN-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.29
Rot. Bonds

About cycloundec-1-en-5-yne

cycloundec-1-en-5-yne (PubChem CID 90875590) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is cycloundec-1-en-5-yne.

Molecular Properties

Compound Namecycloundec-1-en-5-yne
PubChem CID90875590
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Namecycloundec-1-en-5-yne
SMILESC1#CCCCCCC=CCC1
InChIInChI=1S/C11H16/c1-2-4-6-8-10-11-9-7-5-3-1/h1-2H,3-7,9,11H2
InChIKeyXJLSYPSXKWLNMN-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

cyclododec-1-en-7-yne
CID 135063116
(1E)-cyclohexadec-1-en-4-yne
CID 57072717
cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
cyclooctyne;cyclopropane
CID 175311188
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
(5E)-cyclotetradeca-1,5-diene
CID 173030551
(1E,5E)-cyclooctadeca-1,5-diene
CID 143896645

Frequently Asked Questions

What is the IUPAC name of cycloundec-1-en-5-yne?
The IUPAC name of cycloundec-1-en-5-yne (CID 90875590) is cycloundec-1-en-5-yne.
What is the SMILES notation for cycloundec-1-en-5-yne?
The canonical SMILES for cycloundec-1-en-5-yne is C1#CCCCCCC=CCC1.
What is the InChIKey of cycloundec-1-en-5-yne?
The InChIKey is XJLSYPSXKWLNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-4-6-8-10-11-9-7-5-3-1/h1-2H,3-7,9,11H2.
What are the key properties of cycloundec-1-en-5-yne?
cycloundec-1-en-5-yne has a molecular weight of 148.25 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloundec-1-en-5-yne is sourced from PubChem (CID 90875590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).