benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

C15H18O4 — CID 10015565

IUPACbenzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCC1(C)OC[C@H](/C=C\C(=O)OCc2ccccc2)O1
InChIInChI=1S/C15H18O4/c1-15(2)18-11-13(19-15)8-9-14(16)17-10-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8-/t13-/m0/s1
InChIKeyRZPDPBVFRLUYMG-YXVBKTCISA-N
MW262.31 g/mol
LogP2.44
Rot. Bonds4

About benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate (PubChem CID 10015565) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate.

Molecular Properties

Compound Namebenzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
PubChem CID10015565
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namebenzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCC1(C)OC[C@H](/C=C\C(=O)OCc2ccccc2)O1
InChIInChI=1S/C15H18O4/c1-15(2)18-11-13(19-15)8-9-14(16)17-10-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8-/t13-/m0/s1
InChIKeyRZPDPBVFRLUYMG-YXVBKTCISA-N
XLogP2.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-6-propyloxan-2-yl]prop-2-en-1-one
CID 123177585
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
benzyl 3,3-dimethyl-2,4-dioxabicyclo[4.2.0]octane-7-carboxylate
CID 170055279
ethyl (E)-3-[1-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridin-2-yl]prop-2-enoate
CID 138966865
(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane
CID 11172648
benzyl (E)-but-2-enoate
CID 5356259
methyl (E,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxybut-2-enoate
CID 11716472
1-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-one
CID 71339409
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-one
CID 71352243
benzyl N-[(1S)-2-amino-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl]carbamate
CID 13388547
ethyl (E,4S,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5,6-tris(phenylmethoxy)hex-2-enoate
CID 11478530
benzyl (E)-3-aminoprop-2-enoate
CID 12649137

Frequently Asked Questions

What is the IUPAC name of benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The IUPAC name of benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate (CID 10015565) is benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate.
What is the SMILES notation for benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The canonical SMILES for benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate is CC1(C)OC[C@H](/C=C\C(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
The InChIKey is RZPDPBVFRLUYMG-YXVBKTCISA-N. The full InChI is InChI=1S/C15H18O4/c1-15(2)18-11-13(19-15)8-9-14(16)17-10-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8-/t13-/m0/s1.
What are the key properties of benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate?
benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate is sourced from PubChem (CID 10015565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).