[(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate

C19H32O7 — CID 10785515

IUPAC[(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate
SMILESC=C[C@](O)([C@H](OC(=O)C(C)(C)C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H32O7/c1-9-19(21,13-11-23-18(7,8)26-13)14(24-15(20)16(2,3)4)12-10-22-17(5,6)25-12/h9,12-14,21H,1,10-11H2,2-8H3/t12-,13-,14-,19-/m1/s1
InChIKeyDVTOZIKJZXRJRG-QGDIXAPHSA-N
MW372.46 g/mol
LogP2.16
Rot. Bonds5

About [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate

[(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate (PubChem CID 10785515) has the molecular formula C19H32O7 and a molecular weight of 372.46 g/mol. Its IUPAC name is [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate
PubChem CID10785515
Molecular FormulaC19H32O7
Molecular Weight372.46 g/mol
Exact Mass372.21
IUPAC Name[(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate
SMILESC=C[C@](O)([C@H](OC(=O)C(C)(C)C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H32O7/c1-9-19(21,13-11-23-18(7,8)26-13)14(24-15(20)16(2,3)4)12-10-22-17(5,6)25-12/h9,12-14,21H,1,10-11H2,2-8H3/t12-,13-,14-,19-/m1/s1
InChIKeyDVTOZIKJZXRJRG-QGDIXAPHSA-N
XLogP2.16
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluorobut-3-enyl] prop-2-enoate
CID 91987947
[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-trimethylsilylbut-3-ynyl] 2,2-dimethylpropanoate
CID 24786473
tert-butyl (2S,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypent-4-enoate
CID 86705860
methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate
CID 72548059
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoate
CID 12927276
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxybut-3-en-2-one
CID 10773890
acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 71435688
tert-butyl (2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpent-4-enoate
CID 90334062
(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-4-yn-3-ol
CID 101142461
[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methyl-3-oxopropyl] hydrogen sulfate
CID 89090352
ethyl (2S,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-2-methylpropanoate
CID 162368058

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate (CID 10785515) is [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate is C=C[C@](O)([C@H](OC(=O)C(C)(C)C)[C@H]1COC(C)(C)O1)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate?
The InChIKey is DVTOZIKJZXRJRG-QGDIXAPHSA-N. The full InChI is InChI=1S/C19H32O7/c1-9-19(21,13-11-23-18(7,8)26-13)14(24-15(20)16(2,3)4)12-10-22-17(5,6)25-12/h9,12-14,21H,1,10-11H2,2-8H3/t12-,13-,14-,19-/m1/s1.
What are the key properties of [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate?
[(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate has a molecular weight of 372.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxybut-3-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10785515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).