2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane

C14H18O2 — CID 70412034

IUPAC2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane
SMILESC=C(CC)C1OCC(C)(c2ccccc2)O1
InChIInChI=1S/C14H18O2/c1-4-11(2)13-15-10-14(3,16-13)12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3
InChIKeyJHQABQPMRFTWIY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.24
Rot. Bonds3

About 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane

2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane (PubChem CID 70412034) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane
PubChem CID70412034
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane
SMILESC=C(CC)C1OCC(C)(c2ccccc2)O1
InChIInChI=1S/C14H18O2/c1-4-11(2)13-15-10-14(3,16-13)12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3
InChIKeyJHQABQPMRFTWIY-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane
CID 134967526
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
2-methyl-6-pentan-3-yl-2-phenylmorpholine
CID 106288436
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
3-hydroxy-5-methyl-5-phenyloxolan-2-one
CID 12521154
(2-ethyl-1-prop-1-en-2-ylcyclopropyl)benzene
CID 143150696
(2S)-2-methyl-2-phenyl-3,4-dihydropyran-4-ol
CID 100966337
(2R,3R)-2-methyl-2-phenyl-3-propyloxirane
CID 15441965
4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane
CID 10773606

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane?
The IUPAC name of 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane (CID 70412034) is 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane?
The canonical SMILES for 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane is C=C(CC)C1OCC(C)(c2ccccc2)O1.
What is the InChIKey of 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane?
The InChIKey is JHQABQPMRFTWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-11(2)13-15-10-14(3,16-13)12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3.
What are the key properties of 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane?
2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane has a molecular weight of 218.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane is sourced from PubChem (CID 70412034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).