(4S)-2,2,4-trimethyl-1,3-dioxolane

C6H12O2 — CID 6992243

IUPAC(4S)-2,2,4-trimethyl-1,3-dioxolane
SMILESC[C@H]1COC(C)(C)O1
InChIInChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyALTFLAPROMVXNX-YFKPBYRVSA-N
MW116.16 g/mol
LogP1.16
Rot. Bonds

About (4S)-2,2,4-trimethyl-1,3-dioxolane

(4S)-2,2,4-trimethyl-1,3-dioxolane (PubChem CID 6992243) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-1,3-dioxolane
PubChem CID6992243
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(4S)-2,2,4-trimethyl-1,3-dioxolane
SMILESC[C@H]1COC(C)(C)O1
InChIInChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyALTFLAPROMVXNX-YFKPBYRVSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-1,3-dioxolane?
The IUPAC name of (4S)-2,2,4-trimethyl-1,3-dioxolane (CID 6992243) is (4S)-2,2,4-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2,4-trimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-2,2,4-trimethyl-1,3-dioxolane is C[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2,4-trimethyl-1,3-dioxolane?
The InChIKey is ALTFLAPROMVXNX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-1,3-dioxolane?
(4S)-2,2,4-trimethyl-1,3-dioxolane has a molecular weight of 116.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-1,3-dioxolane is sourced from PubChem (CID 6992243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).