3,3,8,8-tetramethyldeca-1,9-dien-5-yne

C14H22 — CID 132571572

IUPAC3,3,8,8-tetramethyldeca-1,9-dien-5-yne
SMILESC=CC(C)(C)CC#CCC(C)(C)C=C
InChIInChI=1S/C14H22/c1-7-13(3,4)11-9-10-12-14(5,6)8-2/h7-8H,1-2,11-12H2,3-6H3
InChIKeyJDSFMXKIRGSWQQ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.19
Rot. Bonds4

About 3,3,8,8-tetramethyldeca-1,9-dien-5-yne

3,3,8,8-tetramethyldeca-1,9-dien-5-yne (PubChem CID 132571572) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3,3,8,8-tetramethyldeca-1,9-dien-5-yne.

Molecular Properties

Compound Name3,3,8,8-tetramethyldeca-1,9-dien-5-yne
PubChem CID132571572
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3,3,8,8-tetramethyldeca-1,9-dien-5-yne
SMILESC=CC(C)(C)CC#CCC(C)(C)C=C
InChIInChI=1S/C14H22/c1-7-13(3,4)11-9-10-12-14(5,6)8-2/h7-8H,1-2,11-12H2,3-6H3
InChIKeyJDSFMXKIRGSWQQ-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 3,3,8,8-tetramethyldeca-1,9-dien-5-yne?
The IUPAC name of 3,3,8,8-tetramethyldeca-1,9-dien-5-yne (CID 132571572) is 3,3,8,8-tetramethyldeca-1,9-dien-5-yne.
What is the SMILES notation for 3,3,8,8-tetramethyldeca-1,9-dien-5-yne?
The canonical SMILES for 3,3,8,8-tetramethyldeca-1,9-dien-5-yne is C=CC(C)(C)CC#CCC(C)(C)C=C.
What is the InChIKey of 3,3,8,8-tetramethyldeca-1,9-dien-5-yne?
The InChIKey is JDSFMXKIRGSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-7-13(3,4)11-9-10-12-14(5,6)8-2/h7-8H,1-2,11-12H2,3-6H3.
What are the key properties of 3,3,8,8-tetramethyldeca-1,9-dien-5-yne?
3,3,8,8-tetramethyldeca-1,9-dien-5-yne has a molecular weight of 190.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,8-tetramethyldeca-1,9-dien-5-yne is sourced from PubChem (CID 132571572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).