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

C13H22O4 — CID 15314583

IUPAC(3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol
SMILESC=C[C@@H](O)CCC1(CC[C@@H](O)C=C)OCCO1
InChIInChI=1S/C13H22O4/c1-3-11(14)5-7-13(16-9-10-17-13)8-6-12(15)4-2/h3-4,11-12,14-15H,1-2,5-10H2/t11-,12+
InChIKeyXRNZEGWMAAVOLG-TXEJJXNPSA-N
MW242.31 g/mol
LogP1.38
Rot. Bonds8

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

(3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol (PubChem CID 15314583) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol.

Molecular Properties

Compound Name(3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol
PubChem CID15314583
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol
SMILESC=C[C@@H](O)CCC1(CC[C@@H](O)C=C)OCCO1
InChIInChI=1S/C13H22O4/c1-3-11(14)5-7-13(16-9-10-17-13)8-6-12(15)4-2/h3-4,11-12,14-15H,1-2,5-10H2/t11-,12+
InChIKeyXRNZEGWMAAVOLG-TXEJJXNPSA-N
XLogP1.38
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.38
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 (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol?
The IUPAC name of (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol (CID 15314583) is (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol.
What is the SMILES notation for (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol?
The canonical SMILES for (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol is C=C[C@@H](O)CCC1(CC[C@@H](O)C=C)OCCO1.
What is the InChIKey of (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol?
The InChIKey is XRNZEGWMAAVOLG-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H22O4/c1-3-11(14)5-7-13(16-9-10-17-13)8-6-12(15)4-2/h3-4,11-12,14-15H,1-2,5-10H2/t11-,12+.
What are the key properties of (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol?
(3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol has a molecular weight of 242.31 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol is sourced from PubChem (CID 15314583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).