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

C11H20O3 — CID 53392738

IUPAC(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one
SMILESCC(=O)[C@@H](C)CC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-8(9(2)12)5-6-10-7-13-11(3,4)14-10/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1
InChIKeyGBDBUUMKWVSESF-WCBMZHEXSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds4

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

(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one (PubChem CID 53392738) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one.

Molecular Properties

Compound Name(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one
PubChem CID53392738
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one
SMILESCC(=O)[C@@H](C)CC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-8(9(2)12)5-6-10-7-13-11(3,4)14-10/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1
InChIKeyGBDBUUMKWVSESF-WCBMZHEXSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363
3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 107389066
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanesulfonic acid
CID 87931343
CID 59269279
CID 59269279
dimethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanedioate
CID 75090382
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-propylpentanoate;ethane
CID 142383371
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide
CID 103842930
N-[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]dodecan-3-yl]tetradecanamide
CID 59040509

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one?
The IUPAC name of (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one (CID 53392738) is (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one.
What is the SMILES notation for (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one?
The canonical SMILES for (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one is CC(=O)[C@@H](C)CC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one?
The InChIKey is GBDBUUMKWVSESF-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(9(2)12)5-6-10-7-13-11(3,4)14-10/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1.
What are the key properties of (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one?
(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one has a molecular weight of 200.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one is sourced from PubChem (CID 53392738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).