(2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol

C11H16O3 — CID 130831333

IUPAC(2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol
SMILESC[C@@H]1[C@H](O)C[C@H](C)O[C@@H]1c1ccco1
InChIInChI=1S/C11H16O3/c1-7-6-9(12)8(2)11(14-7)10-4-3-5-13-10/h3-5,7-9,11-12H,6H2,1-2H3/t7-,8+,9+,11-/m0/s1
InChIKeyNXWMTNUJFMJJKM-SJQPAMGKSA-N
MW196.25 g/mol
LogP2.13
Rot. Bonds1

About (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol

(2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol (PubChem CID 130831333) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol
PubChem CID130831333
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol
SMILESC[C@@H]1[C@H](O)C[C@H](C)O[C@@H]1c1ccco1
InChIInChI=1S/C11H16O3/c1-7-6-9(12)8(2)11(14-7)10-4-3-5-13-10/h3-5,7-9,11-12H,6H2,1-2H3/t7-,8+,9+,11-/m0/s1
InChIKeyNXWMTNUJFMJJKM-SJQPAMGKSA-N
XLogP2.13
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-2-(furan-2-yl)-6-methyloxane
CID 25138454
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452
cis-(1R,2S)-2-(furan-2-yl)cyclohexan-1-ol
CID 95256771
2-(4-methyl-3-methylideneoxolan-2-yl)furan
CID 10855826
(2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol
CID 168762985
(1R,4R,5R,8S,9S)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 929061
2-(furan-2-yl)-3-methyl-6-phenylmorpholine
CID 55097965
(1S,4R,5S,8R,9S)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 6546148
(1S,4R,5S,8R,9R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 2311881
2-(1,3-dimethyl-2H-inden-2-yl)furan
CID 10036025
N-[[2-(furan-2-yl)cyclopropyl]methyl]-N-hydroxyacetamide
CID 19894128

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol?
The IUPAC name of (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol (CID 130831333) is (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol.
What is the SMILES notation for (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol?
The canonical SMILES for (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol is C[C@@H]1[C@H](O)C[C@H](C)O[C@@H]1c1ccco1.
What is the InChIKey of (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol?
The InChIKey is NXWMTNUJFMJJKM-SJQPAMGKSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-6-9(12)8(2)11(14-7)10-4-3-5-13-10/h3-5,7-9,11-12H,6H2,1-2H3/t7-,8+,9+,11-/m0/s1.
What are the key properties of (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol?
(2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol has a molecular weight of 196.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol is sourced from PubChem (CID 130831333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).