3,3,4,5-tetramethylhept-4-en-1-yne

C11H17- — CID 91167200

IUPAC3,3,4,5-tetramethylhept-4-en-1-yne
SMILESC#CC(C)(C)C(C)=C(C)[CH-]C
InChIInChI=1S/C11H17/c1-7-9(3)10(4)11(5,6)8-2/h2,7H,1,3-6H3/q-1
InChIKeyZHJMVMQECDARFC-UHFFFAOYSA-N
MW149.26 g/mol
LogP3.21
Rot. Bonds2

About 3,3,4,5-tetramethylhept-4-en-1-yne

3,3,4,5-tetramethylhept-4-en-1-yne (PubChem CID 91167200) has the molecular formula C11H17- and a molecular weight of 149.26 g/mol. Its IUPAC name is 3,3,4,5-tetramethylhept-4-en-1-yne.

Molecular Properties

Compound Name3,3,4,5-tetramethylhept-4-en-1-yne
PubChem CID91167200
Molecular FormulaC11H17-
Molecular Weight149.26 g/mol
Exact Mass149.13
IUPAC Name3,3,4,5-tetramethylhept-4-en-1-yne
SMILESC#CC(C)(C)C(C)=C(C)[CH-]C
InChIInChI=1S/C11H17/c1-7-9(3)10(4)11(5,6)8-2/h2,7H,1,3-6H3/q-1
InChIKeyZHJMVMQECDARFC-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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
(Z)-4,5-dimethyloct-4-en-1,7-diyne
CID 13442495
(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
3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-
CID 143840

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetramethylhept-4-en-1-yne?
The IUPAC name of 3,3,4,5-tetramethylhept-4-en-1-yne (CID 91167200) is 3,3,4,5-tetramethylhept-4-en-1-yne.
What is the SMILES notation for 3,3,4,5-tetramethylhept-4-en-1-yne?
The canonical SMILES for 3,3,4,5-tetramethylhept-4-en-1-yne is C#CC(C)(C)C(C)=C(C)[CH-]C.
What is the InChIKey of 3,3,4,5-tetramethylhept-4-en-1-yne?
The InChIKey is ZHJMVMQECDARFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17/c1-7-9(3)10(4)11(5,6)8-2/h2,7H,1,3-6H3/q-1.
What are the key properties of 3,3,4,5-tetramethylhept-4-en-1-yne?
3,3,4,5-tetramethylhept-4-en-1-yne has a molecular weight of 149.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetramethylhept-4-en-1-yne is sourced from PubChem (CID 91167200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).