(2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol

C10H18O5 — CID 57183077

IUPAC(2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol
SMILESCC=CC[C@@]1(O)CO[C@H](C)C(O)(O)[C@H]1O
InChIInChI=1S/C10H18O5/c1-3-4-5-9(12)6-15-7(2)10(13,14)8(9)11/h3-4,7-8,11-14H,5-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyFONSFYQRVHGIDW-HRDYMLBCSA-N
MW218.25 g/mol
LogP-0.86
Rot. Bonds2

About (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol

(2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol (PubChem CID 57183077) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol
PubChem CID57183077
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol
SMILESCC=CC[C@@]1(O)CO[C@H](C)C(O)(O)[C@H]1O
InChIInChI=1S/C10H18O5/c1-3-4-5-9(12)6-15-7(2)10(13,14)8(9)11/h3-4,7-8,11-14H,5-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyFONSFYQRVHGIDW-HRDYMLBCSA-N
XLogP-0.86
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol?
The IUPAC name of (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol (CID 57183077) is (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol.
What is the SMILES notation for (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol?
The canonical SMILES for (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol is CC=CC[C@@]1(O)CO[C@H](C)C(O)(O)[C@H]1O.
What is the InChIKey of (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol?
The InChIKey is FONSFYQRVHGIDW-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-4-5-9(12)6-15-7(2)10(13,14)8(9)11/h3-4,7-8,11-14H,5-6H2,1-2H3/t7-,8+,9-/m1/s1.
What are the key properties of (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol?
(2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol has a molecular weight of 218.25 g/mol, XLogP of -0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-but-2-enyl-2-methyloxane-3,3,4,5-tetrol is sourced from PubChem (CID 57183077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).