2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne

C14H24 — CID 123504053

IUPAC2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne
SMILESCC(C)=C(C#CC(C)C(C)C)C(C)C
InChIInChI=1S/C14H24/c1-10(2)13(7)8-9-14(11(3)4)12(5)6/h10-11,13H,1-7H3
InChIKeyCRNBFPRDOOPSPZ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.27
Rot. Bonds2

About 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne

2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne (PubChem CID 123504053) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne.

Molecular Properties

Compound Name2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne
PubChem CID123504053
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne
SMILESCC(C)=C(C#CC(C)C(C)C)C(C)C
InChIInChI=1S/C14H24/c1-10(2)13(7)8-9-14(11(3)4)12(5)6/h10-11,13H,1-7H3
InChIKeyCRNBFPRDOOPSPZ-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.27
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

2-Hexen-4-yne, 2-methyl-3-(1-methylethyl)-
CID 144376
3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-
CID 143840
1-(3-Isopropyl-4-methyl-pent-3-en-1-ynyl)-1-methyl-cyclopropane
CID 600571
(3E)-3,4-Diisopropyl-3-hexene-1,5-diyne
CID 5373663
(E)-5,6-diethyldec-5-en-3,7-diyne
CID 101280147
(E)-2,3,7-trimethyloct-3-en-5-yne
CID 57796795
6-Ethyl-7-methylnon-6-en-2,4-diyne
CID 58028410
4,5,6,6-Tetramethylhept-4-en-2-yne
CID 58944249
2,3,4,4-Tetramethylhept-2-en-5-yne
CID 58944280
2,2,3,4,7,7-Hexamethyloct-3-en-5-yne
CID 58944333
3-Propan-2-yloct-2-en-4-yne
CID 91031253
6,7-Dimethyloct-5-en-2-yne
CID 91612504

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne?
The IUPAC name of 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne (CID 123504053) is 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne.
What is the SMILES notation for 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne?
The canonical SMILES for 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne is CC(C)=C(C#CC(C)C(C)C)C(C)C.
What is the InChIKey of 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne?
The InChIKey is CRNBFPRDOOPSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-10(2)13(7)8-9-14(11(3)4)12(5)6/h10-11,13H,1-7H3.
What are the key properties of 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne?
2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne has a molecular weight of 192.35 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3-propan-2-yloct-2-en-4-yne is sourced from PubChem (CID 123504053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).