(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol

C10H12O2 — CID 124706670

IUPAC(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol
SMILESC#C[C@H](O)CCc1ccc(C)o1
InChIInChI=1S/C10H12O2/c1-3-9(11)5-7-10-6-4-8(2)12-10/h1,4,6,9,11H,5,7H2,2H3/t9-/m0/s1
InChIKeyXZGNXKBQOOVNGH-VIFPVBQESA-N
MW164.20 g/mol
LogP1.51
Rot. Bonds3

About (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol

(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol (PubChem CID 124706670) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol
PubChem CID124706670
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol
SMILESC#C[C@H](O)CCc1ccc(C)o1
InChIInChI=1S/C10H12O2/c1-3-9(11)5-7-10-6-4-8(2)12-10/h1,4,6,9,11H,5,7H2,2H3/t9-/m0/s1
InChIKeyXZGNXKBQOOVNGH-VIFPVBQESA-N
XLogP1.51
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
4-[2-(5-methylfuran-2-yl)ethyl]hepta-1,6-diyn-4-ol
CID 102162426
N-ethynyl-4-methyl-N-[4-(5-methylfuran-2-yl)butan-2-yl]benzenesulfonamide
CID 102476363
2-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]propanenitrile
CID 115130586
azane;(5-methylfuran-2-yl)methanol
CID 175565780
10-(5-methylfuran-2-yl)decane-2,5,8-trione
CID 154620502
3-(5-methylfuran-2-yl)propane-1-thiol
CID 83694727
3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115180865
2-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254151
2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 6602911

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol?
The IUPAC name of (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol (CID 124706670) is (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol.
What is the SMILES notation for (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol?
The canonical SMILES for (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol is C#C[C@H](O)CCc1ccc(C)o1.
What is the InChIKey of (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol?
The InChIKey is XZGNXKBQOOVNGH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12O2/c1-3-9(11)5-7-10-6-4-8(2)12-10/h1,4,6,9,11H,5,7H2,2H3/t9-/m0/s1.
What are the key properties of (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol?
(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol has a molecular weight of 164.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol is sourced from PubChem (CID 124706670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).