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

C6H12O3 — CID 736057

IUPAC[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC[C@H](CO)O1
InChIInChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyRNVYQYLELCKWAN-YFKPBYRVSA-N
MW132.16 g/mol
LogP0.13
Rot. Bonds1

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

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 736057) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID736057
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)OC[C@H](CO)O1
InChIInChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyRNVYQYLELCKWAN-YFKPBYRVSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Iodoethyl)-1,3-dioxolane-4-methanol
CID 21852
Solketal
CID 7528
1,3-Dioxolane-4-methanol
CID 21618
(2-Methyl-1,3-dioxolan-4-yl)methanol
CID 95269
2,2-Dimethyl-1,3-dioxan-5-ol
CID 11029884
2,2-Diethyl-1,3-dioxolane-4-methanol
CID 21902
(2,4-Dimethyl-1,3-dioxolan-2-yl)methanol
CID 538742
(R)-Solketal
CID 736056
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4S,5S)-
CID 785242
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4R,5R)-
CID 785244
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethan-1-ol
CID 4219754
2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol
CID 11051805

Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 736057) is [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)OC[C@H](CO)O1.
What is the InChIKey of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is RNVYQYLELCKWAN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 132.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 736057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).