(2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane

C8H16O2 — CID 71587452

IUPAC(2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)C[C@H]1OC[C@H](C)O1
InChIInChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyPDVLTWPJDBXATJ-YUMQZZPRSA-N
MW144.21 g/mol
LogP1.79
Rot. Bonds2

About (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane

(2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 71587452) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane
PubChem CID71587452
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)C[C@H]1OC[C@H](C)O1
InChIInChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyPDVLTWPJDBXATJ-YUMQZZPRSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane (CID 71587452) is (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane is CC(C)C[C@H]1OC[C@H](C)O1.
What is the InChIKey of (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is PDVLTWPJDBXATJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane?
(2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 144.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 71587452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).