[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol

C7H14O3 — CID 11084020

IUPAC[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol
SMILESC[C@@H]1OC(C)(C)O[C@H]1CO
InChIInChI=1S/C7H14O3/c1-5-6(4-8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyVWUQFWPEGNZUQV-WDSKDSINSA-N
MW146.19 g/mol
LogP0.52
Rot. Bonds1

About [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 11084020) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID11084020
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol
SMILESC[C@@H]1OC(C)(C)O[C@H]1CO
InChIInChI=1S/C7H14O3/c1-5-6(4-8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyVWUQFWPEGNZUQV-WDSKDSINSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol (CID 11084020) is [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol is C[C@@H]1OC(C)(C)O[C@H]1CO.
What is the InChIKey of [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is VWUQFWPEGNZUQV-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-6(4-8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 146.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 11084020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).