2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane

C15H20O3 — CID 57300163

IUPAC2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane
SMILESC/C=C/c1ccc(CC2COC(C)(OC)O2)cc1
InChIInChI=1S/C15H20O3/c1-4-5-12-6-8-13(9-7-12)10-14-11-17-15(2,16-3)18-14/h4-9,14H,10-11H2,1-3H3/b5-4+
InChIKeyUYIUHZIVMMCUIV-SNAWJCMRSA-N
MW248.32 g/mol
LogP3.00
Rot. Bonds4

About 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane

2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane (PubChem CID 57300163) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane
PubChem CID57300163
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane
SMILESC/C=C/c1ccc(CC2COC(C)(OC)O2)cc1
InChIInChI=1S/C15H20O3/c1-4-5-12-6-8-13(9-7-12)10-14-11-17-15(2,16-3)18-14/h4-9,14H,10-11H2,1-3H3/b5-4+
InChIKeyUYIUHZIVMMCUIV-SNAWJCMRSA-N
XLogP3.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane with MolForge

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Related Compounds

methyl 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]benzenesulfonate
CID 172820946
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
1-(iodomethyl)-4-prop-1-enylbenzene
CID 76734170
(4-prop-1-enylphenyl)methanol
CID 67711719
N-(benzylideneamino)-6-[(2-methoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine
CID 70543671
3-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]prop-1-yn-1-ol
CID 69265540
ethyl (Z)-4-bromo-3-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenoxy]but-2-enoate
CID 66899641
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 162887028
(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one
CID 102215285
(2S)-2-amino-2-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phenyl]acetic acid
CID 70475085
1-methoxy-4-prop-1-enylbenzene
CID 67322568

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane?
The IUPAC name of 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane (CID 57300163) is 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane.
What is the SMILES notation for 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane?
The canonical SMILES for 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane is C/C=C/c1ccc(CC2COC(C)(OC)O2)cc1.
What is the InChIKey of 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane?
The InChIKey is UYIUHZIVMMCUIV-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-5-12-6-8-13(9-7-12)10-14-11-17-15(2,16-3)18-14/h4-9,14H,10-11H2,1-3H3/b5-4+.
What are the key properties of 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane?
2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane has a molecular weight of 248.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,3-dioxolane is sourced from PubChem (CID 57300163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).