[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol

C10H18O3 — CID 10773900

IUPAC[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol
SMILESC=CCCO[C@H]1CCCO[C@@H]1CO
InChIInChI=1S/C10H18O3/c1-2-3-6-12-9-5-4-7-13-10(9)8-11/h2,9-11H,1,3-8H2/t9-,10+/m0/s1
InChIKeyNPCDQMTVUSIEDT-VHSXEESVSA-N
MW186.25 g/mol
LogP1.12
Rot. Bonds5

About [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol

[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol (PubChem CID 10773900) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol
PubChem CID10773900
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol
SMILESC=CCCO[C@H]1CCCO[C@@H]1CO
InChIInChI=1S/C10H18O3/c1-2-3-6-12-9-5-4-7-13-10(9)8-11/h2,9-11H,1,3-8H2/t9-,10+/m0/s1
InChIKeyNPCDQMTVUSIEDT-VHSXEESVSA-N
XLogP1.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol (CID 10773900) is [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol is C=CCCO[C@H]1CCCO[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol?
The InChIKey is NPCDQMTVUSIEDT-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-6-12-9-5-4-7-13-10(9)8-11/h2,9-11H,1,3-8H2/t9-,10+/m0/s1.
What are the key properties of [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol?
[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol is sourced from PubChem (CID 10773900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).