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

C15H26O4 — CID 5467361

IUPAC(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
SMILESCC1(C)O[C@@H](CC/C=C/CO)[C@H](CC/C=C/CO)O1
InChIInChI=1S/C15H26O4/c1-15(2)18-13(9-5-3-7-11-16)14(19-15)10-6-4-8-12-17/h3-4,7-8,13-14,16-17H,5-6,9-12H2,1-2H3/b7-3+,8-4+/t13-,14-/m0/s1
InChIKeyCEKVLJSMOOEKNE-UPFFOMSQSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds8

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

(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol (PubChem CID 5467361) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
PubChem CID5467361
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
SMILESCC1(C)O[C@@H](CC/C=C/CO)[C@H](CC/C=C/CO)O1
InChIInChI=1S/C15H26O4/c1-15(2)18-13(9-5-3-7-11-16)14(19-15)10-6-4-8-12-17/h3-4,7-8,13-14,16-17H,5-6,9-12H2,1-2H3/b7-3+,8-4+/t13-,14-/m0/s1
InChIKeyCEKVLJSMOOEKNE-UPFFOMSQSA-N
XLogP2.16
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The IUPAC name of (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol (CID 5467361) is (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol.
What is the SMILES notation for (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The canonical SMILES for (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol is CC1(C)O[C@@H](CC/C=C/CO)[C@H](CC/C=C/CO)O1.
What is the InChIKey of (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
The InChIKey is CEKVLJSMOOEKNE-UPFFOMSQSA-N. The full InChI is InChI=1S/C15H26O4/c1-15(2)18-13(9-5-3-7-11-16)14(19-15)10-6-4-8-12-17/h3-4,7-8,13-14,16-17H,5-6,9-12H2,1-2H3/b7-3+,8-4+/t13-,14-/m0/s1.
What are the key properties of (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol?
(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol has a molecular weight of 270.37 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol is sourced from PubChem (CID 5467361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).