cyclododec-1-en-7-yne

C12H18 — CID 135063116

IUPACcyclododec-1-en-7-yne
SMILESC1#CCCCCC=CCCCC1
InChIInChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-10H2
InChIKeyVGXNITGFKXWAIT-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.68
Rot. Bonds

About cyclododec-1-en-7-yne

cyclododec-1-en-7-yne (PubChem CID 135063116) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is cyclododec-1-en-7-yne.

Molecular Properties

Compound Namecyclododec-1-en-7-yne
PubChem CID135063116
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Namecyclododec-1-en-7-yne
SMILESC1#CCCCCC=CCCCC1
InChIInChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-10H2
InChIKeyVGXNITGFKXWAIT-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.68
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

cycloundec-1-en-5-yne
CID 90875590
(1E)-cyclohexadec-1-en-4-yne
CID 57072717
(1E,7E)-cyclododeca-1,7-diene
CID 6477773
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(5Z)-cyclodeca-1,5-diene
CID 97293620
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclooctyne;cyclopropane
CID 175311188
cyclopentadeca-1,7-diene
CID 154173092
cyclopentadecene
CID 5463009
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118

Frequently Asked Questions

What is the IUPAC name of cyclododec-1-en-7-yne?
The IUPAC name of cyclododec-1-en-7-yne (CID 135063116) is cyclododec-1-en-7-yne.
What is the SMILES notation for cyclododec-1-en-7-yne?
The canonical SMILES for cyclododec-1-en-7-yne is C1#CCCCCC=CCCCC1.
What is the InChIKey of cyclododec-1-en-7-yne?
The InChIKey is VGXNITGFKXWAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-10H2.
What are the key properties of cyclododec-1-en-7-yne?
cyclododec-1-en-7-yne has a molecular weight of 162.28 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododec-1-en-7-yne is sourced from PubChem (CID 135063116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).