1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene

C11H16 — CID 562771

IUPAC1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene
SMILESCC(C)(C)C#CC1=CC1(C)C
InChIInChI=1S/C11H16/c1-10(2,3)7-6-9-8-11(9,4)5/h8H,1-5H3
InChIKeyOMRIEHXMPOIIHU-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds

About 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene

1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene (PubChem CID 562771) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene
PubChem CID562771
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene
SMILESCC(C)(C)C#CC1=CC1(C)C
InChIInChI=1S/C11H16/c1-10(2,3)7-6-9-8-11(9,4)5/h8H,1-5H3
InChIKeyOMRIEHXMPOIIHU-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
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

1-Ethynyl-3,3-dimethylcyclopropene
CID 91407347
(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-(1,1-Dimethylethyl) hex-2-en-4-yne
CID 129768814
3-(1,1-Dimethylethyl)-pent-3-en-1-yne
CID 129768979
Oct-3-ene-1,5-diyne, 3-t-butyl-7,7-dimethyl-
CID 5362777
(Z)-3-tert-butyl-7,7-dimethyloct-3-en-1,5-diyne
CID 6536842
4-Tert-butyl-10-methylundeca-4,5,9-trien-2-yne
CID 20676890
(4E)-3,3,4,5-tetramethylocta-1,4-dien-7-yne
CID 57264350
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene?
The IUPAC name of 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene (CID 562771) is 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene.
What is the SMILES notation for 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene?
The canonical SMILES for 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene is CC(C)(C)C#CC1=CC1(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene?
The InChIKey is OMRIEHXMPOIIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-10(2,3)7-6-9-8-11(9,4)5/h8H,1-5H3.
What are the key properties of 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene?
1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene has a molecular weight of 148.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-ynyl)-3,3-dimethylcyclopropene is sourced from PubChem (CID 562771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).