3,10-diethyldodeca-3,4,8,9-tetraen-6-yne

C16H22 — CID 14146889

IUPAC3,10-diethyldodeca-3,4,8,9-tetraen-6-yne
SMILESCCC(=C=CC#CC=C=C(CC)CC)CC
InChIInChI=1S/C16H22/c1-5-15(6-2)13-11-9-10-12-14-16(7-3)8-4/h11-12H,5-8H2,1-4H3
InChIKeyDVBXLAFESRQTNH-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.79
Rot. Bonds4

About 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne

3,10-diethyldodeca-3,4,8,9-tetraen-6-yne (PubChem CID 14146889) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne.

Molecular Properties

Compound Name3,10-diethyldodeca-3,4,8,9-tetraen-6-yne
PubChem CID14146889
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name3,10-diethyldodeca-3,4,8,9-tetraen-6-yne
SMILESCCC(=C=CC#CC=C=C(CC)CC)CC
InChIInChI=1S/C16H22/c1-5-15(6-2)13-11-9-10-12-14-16(7-3)8-4/h11-12H,5-8H2,1-4H3
InChIKeyDVBXLAFESRQTNH-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.79
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

14-Methylpentadeca-12,13-dien-1,7-diyne
CID 11117411
7,8-Dimethylidenetetradeca-5,9-diyne
CID 154721064
5-But-2-ynyldodeca-5,6-dien-1,9-diyne
CID 57210444
3-Ethylhepta-3,4-diene
CID 123953262
5-Butyldodeca-3,4-dien-6-yne
CID 86172770

Frequently Asked Questions

What is the IUPAC name of 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne?
The IUPAC name of 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne (CID 14146889) is 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne.
What is the SMILES notation for 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne?
The canonical SMILES for 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne is CCC(=C=CC#CC=C=C(CC)CC)CC.
What is the InChIKey of 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne?
The InChIKey is DVBXLAFESRQTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-5-15(6-2)13-11-9-10-12-14-16(7-3)8-4/h11-12H,5-8H2,1-4H3.
What are the key properties of 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne?
3,10-diethyldodeca-3,4,8,9-tetraen-6-yne has a molecular weight of 214.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diethyldodeca-3,4,8,9-tetraen-6-yne is sourced from PubChem (CID 14146889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).