(2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol

C10H16O3 — CID 10081073

IUPAC(2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol
SMILESC/C=C/C=C1\CO[C@](C)(OC)[C@H]1O
InChIInChI=1S/C10H16O3/c1-4-5-6-8-7-13-10(2,12-3)9(8)11/h4-6,9,11H,7H2,1-3H3/b5-4+,8-6+/t9-,10-/m0/s1
InChIKeyKQYKVYUOTBFWGJ-LRVHANFSSA-N
MW184.23 g/mol
LogP1.24
Rot. Bonds2

About (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol

(2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol (PubChem CID 10081073) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol
PubChem CID10081073
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol
SMILESC/C=C/C=C1\CO[C@](C)(OC)[C@H]1O
InChIInChI=1S/C10H16O3/c1-4-5-6-8-7-13-10(2,12-3)9(8)11/h4-6,9,11H,7H2,1-3H3/b5-4+,8-6+/t9-,10-/m0/s1
InChIKeyKQYKVYUOTBFWGJ-LRVHANFSSA-N
XLogP1.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol?
The IUPAC name of (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol (CID 10081073) is (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol is C/C=C/C=C1\CO[C@](C)(OC)[C@H]1O.
What is the InChIKey of (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol?
The InChIKey is KQYKVYUOTBFWGJ-LRVHANFSSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-5-6-8-7-13-10(2,12-3)9(8)11/h4-6,9,11H,7H2,1-3H3/b5-4+,8-6+/t9-,10-/m0/s1.
What are the key properties of (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol?
(2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol has a molecular weight of 184.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4E)-4-[(E)-but-2-enylidene]-2-methoxy-2-methyloxolan-3-ol is sourced from PubChem (CID 10081073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).