tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate

C14H24O5 — CID 134916333

IUPACtert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate
SMILESC=C[C@H](C(O)C(=O)OC(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O5/c1-7-9(10-8-17-14(5,6)18-10)11(15)12(16)19-13(2,3)4/h7,9-11,15H,1,8H2,2-6H3/t9-,10+,11?/m0/s1
InChIKeyHXRCKGQDWYRPKO-MTULOOOASA-N
MW272.34 g/mol
LogP1.64
Rot. Bonds4

About tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate

tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate (PubChem CID 134916333) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate
PubChem CID134916333
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nametert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate
SMILESC=C[C@H](C(O)C(=O)OC(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O5/c1-7-9(10-8-17-14(5,6)18-10)11(15)12(16)19-13(2,3)4/h7,9-11,15H,1,8H2,2-6H3/t9-,10+,11?/m0/s1
InChIKeyHXRCKGQDWYRPKO-MTULOOOASA-N
XLogP1.64
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate?
The IUPAC name of tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate (CID 134916333) is tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate.
What is the SMILES notation for tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate?
The canonical SMILES for tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate is C=C[C@H](C(O)C(=O)OC(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate?
The InChIKey is HXRCKGQDWYRPKO-MTULOOOASA-N. The full InChI is InChI=1S/C14H24O5/c1-7-9(10-8-17-14(5,6)18-10)11(15)12(16)19-13(2,3)4/h7,9-11,15H,1,8H2,2-6H3/t9-,10+,11?/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate?
tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate has a molecular weight of 272.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate is sourced from PubChem (CID 134916333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).