[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol

C8H16O2 — CID 59783314

IUPAC[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol
SMILESCC1C(C)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C8H16O2/c1-5-6(2)8(4-9)10-7(5)3/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m0/s1
InChIKeyMRONLVCGTFEFQF-RLXKETGRSA-N
MW144.21 g/mol
LogP1.04
Rot. Bonds1

About [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol

[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol (PubChem CID 59783314) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol
PubChem CID59783314
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol
SMILESCC1C(C)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C8H16O2/c1-5-6(2)8(4-9)10-7(5)3/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m0/s1
InChIKeyMRONLVCGTFEFQF-RLXKETGRSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol (CID 59783314) is [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol is CC1C(C)[C@@H](CO)O[C@H]1C.
What is the InChIKey of [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol?
The InChIKey is MRONLVCGTFEFQF-RLXKETGRSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-6(2)8(4-9)10-7(5)3/h5-9H,4H2,1-3H3/t5?,6?,7-,8+/m0/s1.
What are the key properties of [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol?
[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol has a molecular weight of 144.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol is sourced from PubChem (CID 59783314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).