(3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol

C6H10O3 — CID 130992162

IUPAC(3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol
SMILESC=C1[C@H](O)CO[C@H]1CO
InChIInChI=1S/C6H10O3/c1-4-5(8)3-9-6(4)2-7/h5-8H,1-3H2/t5-,6+/m1/s1
InChIKeyUSSJLVDQRSWPJW-RITPCOANSA-N
MW130.14 g/mol
LogP-0.71
Rot. Bonds1

About (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol

(3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol (PubChem CID 130992162) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol
PubChem CID130992162
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol
SMILESC=C1[C@H](O)CO[C@H]1CO
InChIInChI=1S/C6H10O3/c1-4-5(8)3-9-6(4)2-7/h5-8H,1-3H2/t5-,6+/m1/s1
InChIKeyUSSJLVDQRSWPJW-RITPCOANSA-N
XLogP-0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol?
The IUPAC name of (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol (CID 130992162) is (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol.
What is the SMILES notation for (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol?
The canonical SMILES for (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol is C=C1[C@H](O)CO[C@H]1CO.
What is the InChIKey of (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol?
The InChIKey is USSJLVDQRSWPJW-RITPCOANSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-5(8)3-9-6(4)2-7/h5-8H,1-3H2/t5-,6+/m1/s1.
What are the key properties of (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol?
(3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol has a molecular weight of 130.14 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol is sourced from PubChem (CID 130992162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).