tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne

C14H14 — CID 171447567

IUPACtricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne
SMILESC1#CCCC2c3ccccc3C2CC1
InChIInChI=1S/C14H14/c1-2-4-8-12-11(7-3-1)13-9-5-6-10-14(12)13/h5-6,9-12H,3-4,7-8H2
InChIKeyYGCIIGWHZNXWBF-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.44
Rot. Bonds

About tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne

tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne (PubChem CID 171447567) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne.

Molecular Properties

Compound Nametricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne
PubChem CID171447567
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Nametricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne
SMILESC1#CCCC2c3ccccc3C2CC1
InChIInChI=1S/C14H14/c1-2-4-8-12-11(7-3-1)13-9-5-6-10-14(12)13/h5-6,9-12H,3-4,7-8H2
InChIKeyYGCIIGWHZNXWBF-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
(1R,8S)-11-chlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 130699170
(1R,8S,9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 102239877
(9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 22216431
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine
CID 5275734
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
CID 144534632
(1R,8S,9S,11R)-10-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 13467286
tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one
CID 130027584
2-cyclohex-2-yn-1-ylphenol
CID 139795382

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne?
The IUPAC name of tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne (CID 171447567) is tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne.
What is the SMILES notation for tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne?
The canonical SMILES for tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne is C1#CCCC2c3ccccc3C2CC1.
What is the InChIKey of tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne?
The InChIKey is YGCIIGWHZNXWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-4-8-12-11(7-3-1)13-9-5-6-10-14(12)13/h5-6,9-12H,3-4,7-8H2.
What are the key properties of tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne?
tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne has a molecular weight of 182.27 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.6.0.02,7]tetradeca-2,4,6-trien-11-yne is sourced from PubChem (CID 171447567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).