(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol

C12H20O3 — CID 16756593

IUPAC(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1/C=C/[C@@H](O)CC
InChIInChI=1S/C12H20O3/c1-5-9(13)7-8-11-10(6-2)14-12(3,4)15-11/h6-11,13H,2,5H2,1,3-4H3/b8-7+/t9-,10-,11-/m0/s1
InChIKeyHCJDIVKBSWIFMI-ZYUZMEKTSA-N
MW212.29 g/mol
LogP2.02
Rot. Bonds4

About (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol

(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol (PubChem CID 16756593) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol.

Molecular Properties

Compound Name(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol
PubChem CID16756593
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1/C=C/[C@@H](O)CC
InChIInChI=1S/C12H20O3/c1-5-9(13)7-8-11-10(6-2)14-12(3,4)15-11/h6-11,13H,2,5H2,1,3-4H3/b8-7+/t9-,10-,11-/m0/s1
InChIKeyHCJDIVKBSWIFMI-ZYUZMEKTSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4R,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol
CID 10953760
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
(S)-4,5-isopropylidene-2-pentenol
CID 11008188
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 44238498
Pentenyl-1,3-dioxolane-4-methanol, (E)-
CID 69669515
[2-(Pent-1-en-1-yl)-1,3-dioxolan-4-yl]methanol
CID 69669516
1-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
CID 332603
(E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 22959671
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
(5E)-3,3-diethoxynona-1,5-dien-4-ol
CID 10704552

Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol?
The IUPAC name of (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol (CID 16756593) is (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol.
What is the SMILES notation for (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol?
The canonical SMILES for (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol is C=C[C@@H]1OC(C)(C)O[C@H]1/C=C/[C@@H](O)CC.
What is the InChIKey of (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol?
The InChIKey is HCJDIVKBSWIFMI-ZYUZMEKTSA-N. The full InChI is InChI=1S/C12H20O3/c1-5-9(13)7-8-11-10(6-2)14-12(3,4)15-11/h6-11,13H,2,5H2,1,3-4H3/b8-7+/t9-,10-,11-/m0/s1.
What are the key properties of (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol?
(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol has a molecular weight of 212.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-ol is sourced from PubChem (CID 16756593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).