(4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane

C7H14O2 — CID 12914092

IUPAC(4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane
SMILESC[C@@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C7H14O2/c1-5-6(2)9-7(3,4)8-5/h5-6H,1-4H3/t5-,6+
InChIKeyIWHKRVPYJLOGAW-OLQVQODUSA-N
MW130.19 g/mol
LogP1.55
Rot. Bonds

About (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane

(4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane (PubChem CID 12914092) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane
PubChem CID12914092
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane
SMILESC[C@@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C7H14O2/c1-5-6(2)9-7(3,4)8-5/h5-6H,1-4H3/t5-,6+
InChIKeyIWHKRVPYJLOGAW-OLQVQODUSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propylene Carbonate
CID 7924
2,2,4-Trimethyl-1,3-dioxolane
CID 62384
2,4-Dimethyl-1,3-dioxolane
CID 102993
4-Methyl-2-propyl-1,3-dioxolane
CID 98218
4-Methyl-1,3-dioxolane
CID 66119
Butylene carbonate
CID 107282
2-Ethyl-4-methyl-1,3-dioxolane
CID 92210
2-Ethyl-2-methyl-1,3-dioxolane
CID 61067
2,4,5-Trimethyl-1,3-dioxolane
CID 102967
4-Ethyl-1,3-dioxolane
CID 121755
4,5-Dimethyl-1,3-dioxolane
CID 524829
4-Methyl-2-(1-methylethyl)-1,3-dioxolane
CID 98461

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane (CID 12914092) is (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane is C[C@@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane?
The InChIKey is IWHKRVPYJLOGAW-OLQVQODUSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-6(2)9-7(3,4)8-5/h5-6H,1-4H3/t5-,6+.
What are the key properties of (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane?
(4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane has a molecular weight of 130.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 12914092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).