(2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol

C19H34O5 — CID 42600162

IUPAC(2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
SMILESC=C[C@@H](O)[C@]1(C)CC[C@H]([C@@](C)(O)CC[C@H]2OC(C)(C)OC2(C)C)O1
InChIInChI=1S/C19H34O5/c1-8-13(20)19(7)12-10-15(23-19)18(6,21)11-9-14-16(2,3)24-17(4,5)22-14/h8,13-15,20-21H,1,9-12H2,2-7H3/t13-,14-,15-,18+,19+/m1/s1
InChIKeyKZOHRFLZSURZMP-IHYABNQOSA-N
MW342.48 g/mol
LogP2.93
Rot. Bonds6

About (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol

(2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol (PubChem CID 42600162) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
PubChem CID42600162
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name(2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
SMILESC=C[C@@H](O)[C@]1(C)CC[C@H]([C@@](C)(O)CC[C@H]2OC(C)(C)OC2(C)C)O1
InChIInChI=1S/C19H34O5/c1-8-13(20)19(7)12-10-15(23-19)18(6,21)11-9-14-16(2,3)24-17(4,5)22-14/h8,13-15,20-21H,1,9-12H2,2-7H3/t13-,14-,15-,18+,19+/m1/s1
InChIKeyKZOHRFLZSURZMP-IHYABNQOSA-N
XLogP2.93
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
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 (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol?
The IUPAC name of (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol (CID 42600162) is (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol.
What is the SMILES notation for (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol?
The canonical SMILES for (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol is C=C[C@@H](O)[C@]1(C)CC[C@H]([C@@](C)(O)CC[C@H]2OC(C)(C)OC2(C)C)O1.
What is the InChIKey of (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol?
The InChIKey is KZOHRFLZSURZMP-IHYABNQOSA-N. The full InChI is InChI=1S/C19H34O5/c1-8-13(20)19(7)12-10-15(23-19)18(6,21)11-9-14-16(2,3)24-17(4,5)22-14/h8,13-15,20-21H,1,9-12H2,2-7H3/t13-,14-,15-,18+,19+/m1/s1.
What are the key properties of (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol?
(2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol has a molecular weight of 342.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyprop-2-enyl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol is sourced from PubChem (CID 42600162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).