(5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one

C11H20O3 — CID 59696747

IUPAC(5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one
SMILESCC(C)C[C@@H](C)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C11H20O3/c1-7(2)6-8(3)9-10(12)14-11(4,5)13-9/h7-9H,6H2,1-5H3/t8-,9+/m1/s1
InChIKeySQTMHSXTOOOSCZ-BDAKNGLRSA-N
MW200.28 g/mol
LogP2.35
Rot. Bonds3

About (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one

(5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one (PubChem CID 59696747) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one
PubChem CID59696747
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one
SMILESCC(C)C[C@@H](C)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C11H20O3/c1-7(2)6-8(3)9-10(12)14-11(4,5)13-9/h7-9H,6H2,1-5H3/t8-,9+/m1/s1
InChIKeySQTMHSXTOOOSCZ-BDAKNGLRSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one?
The IUPAC name of (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one (CID 59696747) is (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one is CC(C)C[C@@H](C)[C@@H]1OC(C)(C)OC1=O.
What is the InChIKey of (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one?
The InChIKey is SQTMHSXTOOOSCZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)6-8(3)9-10(12)14-11(4,5)13-9/h7-9H,6H2,1-5H3/t8-,9+/m1/s1.
What are the key properties of (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one?
(5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one has a molecular weight of 200.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-[(2R)-4-methylpentan-2-yl]-1,3-dioxolan-4-one is sourced from PubChem (CID 59696747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).