[(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol

C10H18O2 — CID 102376971

IUPAC[(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol
SMILESCC(C)(C)[C@]1(C)C=C[C@@H](CO)O1
InChIInChI=1S/C10H18O2/c1-9(2,3)10(4)6-5-8(7-11)12-10/h5-6,8,11H,7H2,1-4H3/t8-,10-/m0/s1
InChIKeyCPDRWFRKCXCFDZ-WPRPVWTQSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds1

About [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol

[(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol (PubChem CID 102376971) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol
PubChem CID102376971
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol
SMILESCC(C)(C)[C@]1(C)C=C[C@@H](CO)O1
InChIInChI=1S/C10H18O2/c1-9(2,3)10(4)6-5-8(7-11)12-10/h5-6,8,11H,7H2,1-4H3/t8-,10-/m0/s1
InChIKeyCPDRWFRKCXCFDZ-WPRPVWTQSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
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)-5-tert-butyl-2-(methoxymethyl)-3,5-dimethyl-2H-furan
CID 21630662
Ctk0J4477
CID 11073512
2-[(2R,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol
CID 11499393
2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol
CID 11542948
(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-ol
CID 21670327
6,6-Dimethyl-2,5-dihydropyran-5-ol
CID 123225691
[6-(Hydroxymethyl)-2-methyl-2,5-dihydropyran-6-yl]methanol
CID 21679894
Ethane;(5-methyl-2,5-dihydrofuran-2-yl)methanol
CID 178416910
2-ethyl-2-[[(5E)-hepta-1,5-dien-4-yl]oxymethyl]propane-1,3-diol
CID 19733600
2-Ethyl-2-(hepta-1,5-dien-4-yloxymethyl)propane-1,3-diol
CID 54340437
3-(2-Hydroxyhex-4-en-3-yloxy)hex-4-en-2-ol
CID 57285634
[(2S,5R)-5-tert-butyl-2,5-dihydrofuran-2-yl]methanol
CID 58716385

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol (CID 102376971) is [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol is CC(C)(C)[C@]1(C)C=C[C@@H](CO)O1.
What is the InChIKey of [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol?
The InChIKey is CPDRWFRKCXCFDZ-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2,3)10(4)6-5-8(7-11)12-10/h5-6,8,11H,7H2,1-4H3/t8-,10-/m0/s1.
What are the key properties of [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol?
[(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-tert-butyl-5-methyl-2H-furan-2-yl]methanol is sourced from PubChem (CID 102376971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).