2,2,3,4,7,7-hexamethyloct-3-en-5-yne

C14H24 — CID 58944333

IUPAC2,2,3,4,7,7-hexamethyloct-3-en-5-yne
SMILESCC(C#CC(C)(C)C)=C(C)C(C)(C)C
InChIInChI=1S/C14H24/c1-11(9-10-13(3,4)5)12(2)14(6,7)8/h1-8H3
InChIKeyHRWDYKFTYPFBSY-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.42
Rot. Bonds

About 2,2,3,4,7,7-hexamethyloct-3-en-5-yne

2,2,3,4,7,7-hexamethyloct-3-en-5-yne (PubChem CID 58944333) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,2,3,4,7,7-hexamethyloct-3-en-5-yne.

Molecular Properties

Compound Name2,2,3,4,7,7-hexamethyloct-3-en-5-yne
PubChem CID58944333
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2,2,3,4,7,7-hexamethyloct-3-en-5-yne
SMILESCC(C#CC(C)(C)C)=C(C)C(C)(C)C
InChIInChI=1S/C14H24/c1-11(9-10-13(3,4)5)12(2)14(6,7)8/h1-8H3
InChIKeyHRWDYKFTYPFBSY-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.42
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

(E)-2,3-Di-tert-butyl-2-butene
CID 638064
(Z)-2,3-Di-tert-butyl-2-butene
CID 3036372
2,3,4,4-Tetramethyl-2-pentene
CID 12923851
2,2,3,4-Tetramethyl-3-hexene
CID 59938599
2-Hexen-4-yne, 2-methyl-3-(1-methylethyl)-
CID 144376
3-Heptyne, 2,2,6,6-tetramethyl-5-methylene-
CID 11829782
(Z)-3-tert-butyl-5-methylhex-3-en-1-yne
CID 91999107
(E)-3,4-ditert-butylhex-3-en-1,5-diyne
CID 100967834
3,5-Ditert-butylhepta-3,4-dien-1,6-diyne
CID 101913958
3-(1,1-Dimethylethyl) hex-2-en-4-yne
CID 129768814
3-(1,1-Dimethylethyl)-pent-3-en-1-yne
CID 129768979
2,2,3,4-Tetramethyl-3-hexene (low boil. isomer)
CID 13650979

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,7,7-hexamethyloct-3-en-5-yne?
The IUPAC name of 2,2,3,4,7,7-hexamethyloct-3-en-5-yne (CID 58944333) is 2,2,3,4,7,7-hexamethyloct-3-en-5-yne.
What is the SMILES notation for 2,2,3,4,7,7-hexamethyloct-3-en-5-yne?
The canonical SMILES for 2,2,3,4,7,7-hexamethyloct-3-en-5-yne is CC(C#CC(C)(C)C)=C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,4,7,7-hexamethyloct-3-en-5-yne?
The InChIKey is HRWDYKFTYPFBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-11(9-10-13(3,4)5)12(2)14(6,7)8/h1-8H3.
What are the key properties of 2,2,3,4,7,7-hexamethyloct-3-en-5-yne?
2,2,3,4,7,7-hexamethyloct-3-en-5-yne has a molecular weight of 192.35 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,7,7-hexamethyloct-3-en-5-yne is sourced from PubChem (CID 58944333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).