(E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol

C11H16O2 — CID 11019458

IUPAC(E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol
SMILESCC(C)C(O)C/C=C/c1ccoc1
InChIInChI=1S/C11H16O2/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h3-4,6-9,11-12H,5H2,1-2H3/b4-3+
InChIKeyJOHCOFXRAINGRC-ONEGZZNKSA-N
MW180.25 g/mol
LogP2.70
Rot. Bonds4

About (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol

(E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol (PubChem CID 11019458) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol
PubChem CID11019458
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol
SMILESCC(C)C(O)C/C=C/c1ccoc1
InChIInChI=1S/C11H16O2/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h3-4,6-9,11-12H,5H2,1-2H3/b4-3+
InChIKeyJOHCOFXRAINGRC-ONEGZZNKSA-N
XLogP2.70
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol?
The IUPAC name of (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol (CID 11019458) is (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol.
What is the SMILES notation for (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol?
The canonical SMILES for (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol is CC(C)C(O)C/C=C/c1ccoc1.
What is the InChIKey of (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol?
The InChIKey is JOHCOFXRAINGRC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h3-4,6-9,11-12H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol?
(E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol has a molecular weight of 180.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(furan-3-yl)-2-methylhex-5-en-3-ol is sourced from PubChem (CID 11019458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).