(3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol

C9H16O2 — CID 134952255

IUPAC(3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol
SMILESC/C=C1\COC[C@]1(O)C(C)C
InChIInChI=1S/C9H16O2/c1-4-8-5-11-6-9(8,10)7(2)3/h4,7,10H,5-6H2,1-3H3/b8-4+/t9-/m0/s1
InChIKeyIVVTVPOCCZYPDM-SGDMMICCSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds1

About (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol

(3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol (PubChem CID 134952255) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol
PubChem CID134952255
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol
SMILESC/C=C1\COC[C@]1(O)C(C)C
InChIInChI=1S/C9H16O2/c1-4-8-5-11-6-9(8,10)7(2)3/h4,7,10H,5-6H2,1-3H3/b8-4+/t9-/m0/s1
InChIKeyIVVTVPOCCZYPDM-SGDMMICCSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol?
The IUPAC name of (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol (CID 134952255) is (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol.
What is the SMILES notation for (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol?
The canonical SMILES for (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol is C/C=C1\COC[C@]1(O)C(C)C.
What is the InChIKey of (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol?
The InChIKey is IVVTVPOCCZYPDM-SGDMMICCSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8-5-11-6-9(8,10)7(2)3/h4,7,10H,5-6H2,1-3H3/b8-4+/t9-/m0/s1.
What are the key properties of (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol?
(3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E)-4-ethylidene-3-propan-2-yloxolan-3-ol is sourced from PubChem (CID 134952255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).