(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane

C9H18O3 — CID 13183691

IUPAC(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane
SMILESCC(C)OCC[C@@H]1OC[C@H](C)O1
InChIInChI=1S/C9H18O3/c1-7(2)10-5-4-9-11-6-8(3)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyMZZDZQHTKKMJJN-DTWKUNHWSA-N
MW174.24 g/mol
LogP1.56
Rot. Bonds4

About (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane

(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane (PubChem CID 13183691) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane
PubChem CID13183691
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane
SMILESCC(C)OCC[C@@H]1OC[C@H](C)O1
InChIInChI=1S/C9H18O3/c1-7(2)10-5-4-9-11-6-8(3)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyMZZDZQHTKKMJJN-DTWKUNHWSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1,3-dioxolan-2-yl)propanal
CID 20507445
3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol
CID 13464120
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 154524660
(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297
(2R,4S)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959551
(2S,4S)-2-hexyl-4-methyl-1,3-dioxolane
CID 36690472
(4S)-2-(bromomethyl)-4-methyl-1,3-dioxolane
CID 130671884
[(4R)-4-methyl-1,3-dioxolan-2-yl]methanol
CID 142218805
(2S,4R)-2-(bromomethyl)-4-methyl-1,3-dioxolane
CID 21122318
O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine
CID 134925790

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane?
The IUPAC name of (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane (CID 13183691) is (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane?
The canonical SMILES for (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane is CC(C)OCC[C@@H]1OC[C@H](C)O1.
What is the InChIKey of (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane?
The InChIKey is MZZDZQHTKKMJJN-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)10-5-4-9-11-6-8(3)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane?
(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane has a molecular weight of 174.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane is sourced from PubChem (CID 13183691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).