[(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol

C8H14O2 — CID 15657495

IUPAC[(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol
SMILESCC1=C[C@](C)(CO)O[C@@H]1C
InChIInChI=1S/C8H14O2/c1-6-4-8(3,5-9)10-7(6)2/h4,7,9H,5H2,1-3H3/t7-,8-/m1/s1
InChIKeyZKARRNQBEBKLDS-HTQZYQBOSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds1

About [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol

[(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol (PubChem CID 15657495) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol
PubChem CID15657495
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol
SMILESCC1=C[C@](C)(CO)O[C@@H]1C
InChIInChI=1S/C8H14O2/c1-6-4-8(3,5-9)10-7(6)2/h4,7,9H,5H2,1-3H3/t7-,8-/m1/s1
InChIKeyZKARRNQBEBKLDS-HTQZYQBOSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2,3,5-trimethyl-2H-furan-5-carboxylic acid
CID 131113894
tri(propan-2-yl)-[[(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methoxy]silane
CID 15657496
[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol
CID 131106641
(4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
CID 20805127
(2,4-dimethyl-1,3-dioxol-2-yl)methanol
CID 141086844
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 11469364
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
1-(4,6,6-trimethyl-2,3-dihydropyran-2-yl)propan-2-one
CID 10487684
2-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]ethanol
CID 121233009
[(2S)-2,3,3-trimethyloxiran-2-yl]methanol
CID 45120381
(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 88976557

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol?
The IUPAC name of [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol (CID 15657495) is [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol.
What is the SMILES notation for [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol?
The canonical SMILES for [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol is CC1=C[C@](C)(CO)O[C@@H]1C.
What is the InChIKey of [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol?
The InChIKey is ZKARRNQBEBKLDS-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-8(3,5-9)10-7(6)2/h4,7,9H,5H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol?
[(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2,3,5-trimethyl-2H-furan-5-yl]methanol is sourced from PubChem (CID 15657495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).