(1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol

C9H12O2 — CID 11286572

IUPAC(1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol
SMILESC=C[C@@H](C)[C@H](O)c1ccco1
InChIInChI=1S/C9H12O2/c1-3-7(2)9(10)8-5-4-6-11-8/h3-7,9-10H,1H2,2H3/t7-,9+/m1/s1
InChIKeyPOEIITZLBFEGES-APPZFPTMSA-N
MW152.19 g/mol
LogP2.14
Rot. Bonds3

About (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol

(1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol (PubChem CID 11286572) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol
PubChem CID11286572
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol
SMILESC=C[C@@H](C)[C@H](O)c1ccco1
InChIInChI=1S/C9H12O2/c1-3-7(2)9(10)8-5-4-6-11-8/h3-7,9-10H,1H2,2H3/t7-,9+/m1/s1
InChIKeyPOEIITZLBFEGES-APPZFPTMSA-N
XLogP2.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.14
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 (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol?
The IUPAC name of (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol (CID 11286572) is (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol.
What is the SMILES notation for (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol?
The canonical SMILES for (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol is C=C[C@@H](C)[C@H](O)c1ccco1.
What is the InChIKey of (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol?
The InChIKey is POEIITZLBFEGES-APPZFPTMSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7(2)9(10)8-5-4-6-11-8/h3-7,9-10H,1H2,2H3/t7-,9+/m1/s1.
What are the key properties of (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol?
(1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol has a molecular weight of 152.19 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 11286572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).