(1E)-cyclohexadec-1-en-4-yne

C16H26 — CID 57072717

IUPAC(1E)-cyclohexadec-1-en-4-yne
SMILESC1#CCCCCCCCCCCC/C=C/C1
InChIInChI=1S/C16H26/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-2H,3-5,7,9-16H2/b2-1+
InChIKeyNYPINJKXVDWYTG-OWOJBTEDSA-N
MW218.38 g/mol
LogP5.24
Rot. Bonds

About (1E)-cyclohexadec-1-en-4-yne

(1E)-cyclohexadec-1-en-4-yne (PubChem CID 57072717) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (1E)-cyclohexadec-1-en-4-yne.

Molecular Properties

Compound Name(1E)-cyclohexadec-1-en-4-yne
PubChem CID57072717
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(1E)-cyclohexadec-1-en-4-yne
SMILESC1#CCCCCCCCCCCC/C=C/C1
InChIInChI=1S/C16H26/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-2H,3-5,7,9-16H2/b2-1+
InChIKeyNYPINJKXVDWYTG-OWOJBTEDSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.24
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'}

Analyze (1E)-cyclohexadec-1-en-4-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclododec-1-en-7-yne
CID 135063116
cycloundec-1-en-5-yne
CID 90875590
cyclooctyne;cyclopropane
CID 175311188
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
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
(5E)-cyclotetradeca-1,5-diene
CID 173030551
(1E,5Z)-cycloundeca-1,5-diene
CID 13049653

Frequently Asked Questions

What is the IUPAC name of (1E)-cyclohexadec-1-en-4-yne?
The IUPAC name of (1E)-cyclohexadec-1-en-4-yne (CID 57072717) is (1E)-cyclohexadec-1-en-4-yne.
What is the SMILES notation for (1E)-cyclohexadec-1-en-4-yne?
The canonical SMILES for (1E)-cyclohexadec-1-en-4-yne is C1#CCCCCCCCCCCC/C=C/C1.
What is the InChIKey of (1E)-cyclohexadec-1-en-4-yne?
The InChIKey is NYPINJKXVDWYTG-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H26/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-2H,3-5,7,9-16H2/b2-1+.
What are the key properties of (1E)-cyclohexadec-1-en-4-yne?
(1E)-cyclohexadec-1-en-4-yne has a molecular weight of 218.38 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-cyclohexadec-1-en-4-yne is sourced from PubChem (CID 57072717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).