prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C18H26O8 — CID 134446865

IUPACprop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESC=CCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@@H]1OC(C)(C)O[C@H]1C(=O)OCC=C
InChIInChI=1S/C18H26O8/c1-7-9-21-15(19)13-11(23-17(3,4)25-13)12-14(16(20)22-10-8-2)26-18(5,6)24-12/h7-8,11-14H,1-2,9-10H2,3-6H3/t11-,12+,13+,14-
InChIKeyQJBOKTUTMBMVLQ-LVEBTZEWSA-N
MW370.40 g/mol
LogP1.49
Rot. Bonds7

About prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 134446865) has the molecular formula C18H26O8 and a molecular weight of 370.40 g/mol. Its IUPAC name is prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID134446865
Molecular FormulaC18H26O8
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Nameprop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESC=CCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@@H]1OC(C)(C)O[C@H]1C(=O)OCC=C
InChIInChI=1S/C18H26O8/c1-7-9-21-15(19)13-11(23-17(3,4)25-13)12-14(16(20)22-10-8-2)26-18(5,6)24-12/h7-8,11-14H,1-2,9-10H2,3-6H3/t11-,12+,13+,14-
InChIKeyQJBOKTUTMBMVLQ-LVEBTZEWSA-N
XLogP1.49
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 134446865) is prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is C=CCOC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@@H]1OC(C)(C)O[C@H]1C(=O)OCC=C.
What is the InChIKey of prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is QJBOKTUTMBMVLQ-LVEBTZEWSA-N. The full InChI is InChI=1S/C18H26O8/c1-7-9-21-15(19)13-11(23-17(3,4)25-13)12-14(16(20)22-10-8-2)26-18(5,6)24-12/h7-8,11-14H,1-2,9-10H2,3-6H3/t11-,12+,13+,14-.
What are the key properties of prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 370.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134446865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).