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

C9H12O2 — CID 132837396

IUPAC(E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol
SMILESC/C=C(\C)[C@@H](O)c1ccoc1
InChIInChI=1S/C9H12O2/c1-3-7(2)9(10)8-4-5-11-6-8/h3-6,9-10H,1-2H3/b7-3+/t9-/m1/s1
InChIKeyUYXWDMPPPLZIIS-XKEGTWDPSA-N
MW152.19 g/mol
LogP2.28
Rot. Bonds2

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

(E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol (PubChem CID 132837396) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol
PubChem CID132837396
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol
SMILESC/C=C(\C)[C@@H](O)c1ccoc1
InChIInChI=1S/C9H12O2/c1-3-7(2)9(10)8-4-5-11-6-8/h3-6,9-10H,1-2H3/b7-3+/t9-/m1/s1
InChIKeyUYXWDMPPPLZIIS-XKEGTWDPSA-N
XLogP2.28
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.28
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 (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol?
The IUPAC name of (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol (CID 132837396) is (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol?
The canonical SMILES for (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol is C/C=C(\C)[C@@H](O)c1ccoc1.
What is the InChIKey of (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol?
The InChIKey is UYXWDMPPPLZIIS-XKEGTWDPSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7(2)9(10)8-4-5-11-6-8/h3-6,9-10H,1-2H3/b7-3+/t9-/m1/s1.
What are the key properties of (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol?
(E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol has a molecular weight of 152.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-(furan-3-yl)-2-methylbut-2-en-1-ol is sourced from PubChem (CID 132837396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).