6-(furan-3-yl)-2-methylhex-1-en-3-ol

C11H16O2 — CID 121218914

IUPAC6-(furan-3-yl)-2-methylhex-1-en-3-ol
SMILESC=C(C)C(O)CCCc1ccoc1
InChIInChI=1S/C11H16O2/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h6-8,11-12H,1,3-5H2,2H3
InChIKeyNBTXVSDMVFEVIL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.54
Rot. Bonds5

About 6-(furan-3-yl)-2-methylhex-1-en-3-ol

6-(furan-3-yl)-2-methylhex-1-en-3-ol (PubChem CID 121218914) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-(furan-3-yl)-2-methylhex-1-en-3-ol.

Molecular Properties

Compound Name6-(furan-3-yl)-2-methylhex-1-en-3-ol
PubChem CID121218914
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-(furan-3-yl)-2-methylhex-1-en-3-ol
SMILESC=C(C)C(O)CCCc1ccoc1
InChIInChI=1S/C11H16O2/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h6-8,11-12H,1,3-5H2,2H3
InChIKeyNBTXVSDMVFEVIL-UHFFFAOYSA-N
XLogP2.54
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.54
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 6-(furan-3-yl)-2-methylhex-1-en-3-ol?
The IUPAC name of 6-(furan-3-yl)-2-methylhex-1-en-3-ol (CID 121218914) is 6-(furan-3-yl)-2-methylhex-1-en-3-ol.
What is the SMILES notation for 6-(furan-3-yl)-2-methylhex-1-en-3-ol?
The canonical SMILES for 6-(furan-3-yl)-2-methylhex-1-en-3-ol is C=C(C)C(O)CCCc1ccoc1.
What is the InChIKey of 6-(furan-3-yl)-2-methylhex-1-en-3-ol?
The InChIKey is NBTXVSDMVFEVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h6-8,11-12H,1,3-5H2,2H3.
What are the key properties of 6-(furan-3-yl)-2-methylhex-1-en-3-ol?
6-(furan-3-yl)-2-methylhex-1-en-3-ol has a molecular weight of 180.25 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-2-methylhex-1-en-3-ol is sourced from PubChem (CID 121218914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).