[(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C12H22O5 — CID 23260647

IUPAC[(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC[C@H](C[C@]2(CO)COC(C)(C)O2)O1
InChIInChI=1S/C12H22O5/c1-10(2)14-6-9(16-10)5-12(7-13)8-15-11(3,4)17-12/h9,13H,5-8H2,1-4H3/t9-,12-/m0/s1
InChIKeyLWKPIGYCDFPWNI-CABZTGNLSA-N
MW246.30 g/mol
LogP1.04
Rot. Bonds3

About [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 23260647) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID23260647
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name[(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC[C@H](C[C@]2(CO)COC(C)(C)O2)O1
InChIInChI=1S/C12H22O5/c1-10(2)14-6-9(16-10)5-12(7-13)8-15-11(3,4)17-12/h9,13H,5-8H2,1-4H3/t9-,12-/m0/s1
InChIKeyLWKPIGYCDFPWNI-CABZTGNLSA-N
XLogP1.04
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 23260647) is [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)OC[C@H](C[C@]2(CO)COC(C)(C)O2)O1.
What is the InChIKey of [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is LWKPIGYCDFPWNI-CABZTGNLSA-N. The full InChI is InChI=1S/C12H22O5/c1-10(2)14-6-9(16-10)5-12(7-13)8-15-11(3,4)17-12/h9,13H,5-8H2,1-4H3/t9-,12-/m0/s1.
What are the key properties of [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 246.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 23260647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).