(4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one

C12H22O4 — CID 146994998

IUPAC(4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCO[C@@H](CC(C)=O)CC1(C)OC(C)C(C)O1
InChIInChI=1S/C12H22O4/c1-8(13)6-11(14-5)7-12(4)15-9(2)10(3)16-12/h9-11H,6-7H2,1-5H3/t9?,10?,11-,12?/m0/s1
InChIKeyAQXOHSLPHHOCSG-FYJQFVIDSA-N
MW230.30 g/mol
LogP1.91
Rot. Bonds5

About (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one

(4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one (PubChem CID 146994998) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name(4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
PubChem CID146994998
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCO[C@@H](CC(C)=O)CC1(C)OC(C)C(C)O1
InChIInChI=1S/C12H22O4/c1-8(13)6-11(14-5)7-12(4)15-9(2)10(3)16-12/h9-11H,6-7H2,1-5H3/t9?,10?,11-,12?/m0/s1
InChIKeyAQXOHSLPHHOCSG-FYJQFVIDSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The IUPAC name of (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one (CID 146994998) is (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one.
What is the SMILES notation for (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The canonical SMILES for (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one is CO[C@@H](CC(C)=O)CC1(C)OC(C)C(C)O1.
What is the InChIKey of (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The InChIKey is AQXOHSLPHHOCSG-FYJQFVIDSA-N. The full InChI is InChI=1S/C12H22O4/c1-8(13)6-11(14-5)7-12(4)15-9(2)10(3)16-12/h9-11H,6-7H2,1-5H3/t9?,10?,11-,12?/m0/s1.
What are the key properties of (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one?
(4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one has a molecular weight of 230.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one is sourced from PubChem (CID 146994998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).