[(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol

C10H20O4 — CID 774794

IUPAC[(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC(C)(C)C1(C)O[C@@H](CO)[C@H](CO)O1
InChIInChI=1S/C10H20O4/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8,11-12H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyQBEZMVAFAVJQQP-YUMQZZPRSA-N
MW204.27 g/mol
LogP0.52
Rot. Bonds2

About [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol

[(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 774794) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID774794
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name[(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC(C)(C)C1(C)O[C@@H](CO)[C@H](CO)O1
InChIInChI=1S/C10H20O4/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8,11-12H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyQBEZMVAFAVJQQP-YUMQZZPRSA-N
XLogP0.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 774794) is [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol is CC(C)(C)C1(C)O[C@@H](CO)[C@H](CO)O1.
What is the InChIKey of [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is QBEZMVAFAVJQQP-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8,11-12H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 204.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 774794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).