4,5,10-trimethyldodeca-5,6-dien-1,11-diyne

C15H20 — CID 56984117

IUPAC4,5,10-trimethyldodeca-5,6-dien-1,11-diyne
SMILESC#CCC(C)C(C)=C=CCCC(C)C#C
InChIInChI=1S/C15H20/c1-6-10-14(4)15(5)12-9-8-11-13(3)7-2/h1-2,9,13-14H,8,10-11H2,3-5H3
InChIKeyCNIQSLVXJVOJQX-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.80
Rot. Bonds5

About 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne

4,5,10-trimethyldodeca-5,6-dien-1,11-diyne (PubChem CID 56984117) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne.

Molecular Properties

Compound Name4,5,10-trimethyldodeca-5,6-dien-1,11-diyne
PubChem CID56984117
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name4,5,10-trimethyldodeca-5,6-dien-1,11-diyne
SMILESC#CCC(C)C(C)=C=CCCC(C)C#C
InChIInChI=1S/C15H20/c1-6-10-14(4)15(5)12-9-8-11-13(3)7-2/h1-2,9,13-14H,8,10-11H2,3-5H3
InChIKeyCNIQSLVXJVOJQX-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne?
The IUPAC name of 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne (CID 56984117) is 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne.
What is the SMILES notation for 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne?
The canonical SMILES for 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne is C#CCC(C)C(C)=C=CCCC(C)C#C.
What is the InChIKey of 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne?
The InChIKey is CNIQSLVXJVOJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-6-10-14(4)15(5)12-9-8-11-13(3)7-2/h1-2,9,13-14H,8,10-11H2,3-5H3.
What are the key properties of 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne?
4,5,10-trimethyldodeca-5,6-dien-1,11-diyne has a molecular weight of 200.32 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10-trimethyldodeca-5,6-dien-1,11-diyne is sourced from PubChem (CID 56984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).