(6E)-2,6-dimethyldodeca-2,6-dien-10-yne

C14H22 — CID 138970676

IUPAC(6E)-2,6-dimethyldodeca-2,6-dien-10-yne
SMILESCC#CCC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H22/c1-5-6-7-8-11-14(4)12-9-10-13(2)3/h10-11H,7-9,12H2,1-4H3/b14-11+
InChIKeyYHLTVVLVKFKXMU-SDNWHVSQSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds5

About (6E)-2,6-dimethyldodeca-2,6-dien-10-yne

(6E)-2,6-dimethyldodeca-2,6-dien-10-yne (PubChem CID 138970676) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (6E)-2,6-dimethyldodeca-2,6-dien-10-yne.

Molecular Properties

Compound Name(6E)-2,6-dimethyldodeca-2,6-dien-10-yne
PubChem CID138970676
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(6E)-2,6-dimethyldodeca-2,6-dien-10-yne
SMILESCC#CCC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H22/c1-5-6-7-8-11-14(4)12-9-10-13(2)3/h10-11H,7-9,12H2,1-4H3/b14-11+
InChIKeyYHLTVVLVKFKXMU-SDNWHVSQSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (6E)-2,6-dimethyldodeca-2,6-dien-10-yne?
The IUPAC name of (6E)-2,6-dimethyldodeca-2,6-dien-10-yne (CID 138970676) is (6E)-2,6-dimethyldodeca-2,6-dien-10-yne.
What is the SMILES notation for (6E)-2,6-dimethyldodeca-2,6-dien-10-yne?
The canonical SMILES for (6E)-2,6-dimethyldodeca-2,6-dien-10-yne is CC#CCC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E)-2,6-dimethyldodeca-2,6-dien-10-yne?
The InChIKey is YHLTVVLVKFKXMU-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H22/c1-5-6-7-8-11-14(4)12-9-10-13(2)3/h10-11H,7-9,12H2,1-4H3/b14-11+.
What are the key properties of (6E)-2,6-dimethyldodeca-2,6-dien-10-yne?
(6E)-2,6-dimethyldodeca-2,6-dien-10-yne has a molecular weight of 190.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,6-dimethyldodeca-2,6-dien-10-yne is sourced from PubChem (CID 138970676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).