but-1-ynylbenzene;2-methylprop-1-ene

C14H18 — CID 164573656

IUPACbut-1-ynylbenzene;2-methylprop-1-ene
SMILESC=C(C)C.CCC#Cc1ccccc1
InChIInChI=1S/C10H10.C4H8/c1-2-3-7-10-8-5-4-6-9-10;1-4(2)3/h4-6,8-9H,2H2,1H3;1H2,2-3H3
InChIKeyRIQFAVOLPQVZOQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.03
Rot. Bonds

About but-1-ynylbenzene;2-methylprop-1-ene

but-1-ynylbenzene;2-methylprop-1-ene (PubChem CID 164573656) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is but-1-ynylbenzene;2-methylprop-1-ene.

Molecular Properties

Compound Namebut-1-ynylbenzene;2-methylprop-1-ene
PubChem CID164573656
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Namebut-1-ynylbenzene;2-methylprop-1-ene
SMILESC=C(C)C.CCC#Cc1ccccc1
InChIInChI=1S/C10H10.C4H8/c1-2-3-7-10-8-5-4-6-9-10;1-4(2)3/h4-6,8-9H,2H2,1H3;1H2,2-3H3
InChIKeyRIQFAVOLPQVZOQ-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(5-phenylpent-1-en-4-yn-2-yl)silane
CID 101197462
3-(4-but-1-ynylphenyl)prop-2-ynylphosphane
CID 70372092
4-phenylbut-1-en-3-yn-2-yl acetate
CID 15864474
[3-butyl-4,5-dimethylidene-6-(2-phenylethynyl)dec-1-ynyl]benzene
CID 12964189
7-phenylhept-6-yn-2-one
CID 11084575
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
tridec-1-ynylbenzene
CID 19991064
2-methylidene-4-phenylbut-3-yn-1-ol
CID 10534945
4-methylpent-1-ynylbenzene
CID 12861410
3-methylpenta-3,4-dien-1-ynylbenzene
CID 11182723

Frequently Asked Questions

What is the IUPAC name of but-1-ynylbenzene;2-methylprop-1-ene?
The IUPAC name of but-1-ynylbenzene;2-methylprop-1-ene (CID 164573656) is but-1-ynylbenzene;2-methylprop-1-ene.
What is the SMILES notation for but-1-ynylbenzene;2-methylprop-1-ene?
The canonical SMILES for but-1-ynylbenzene;2-methylprop-1-ene is C=C(C)C.CCC#Cc1ccccc1.
What is the InChIKey of but-1-ynylbenzene;2-methylprop-1-ene?
The InChIKey is RIQFAVOLPQVZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C4H8/c1-2-3-7-10-8-5-4-6-9-10;1-4(2)3/h4-6,8-9H,2H2,1H3;1H2,2-3H3.
What are the key properties of but-1-ynylbenzene;2-methylprop-1-ene?
but-1-ynylbenzene;2-methylprop-1-ene has a molecular weight of 186.30 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ynylbenzene;2-methylprop-1-ene is sourced from PubChem (CID 164573656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).