(2S)-2-methyl-5-(2-methylpropyl)furan-3-one

C9H14O2 — CID 124564292

IUPAC(2S)-2-methyl-5-(2-methylpropyl)furan-3-one
SMILESCC(C)CC1=CC(=O)[C@H](C)O1
InChIInChI=1S/C9H14O2/c1-6(2)4-8-5-9(10)7(3)11-8/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeySRGMARRFDPWADI-ZETCQYMHSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds2

About (2S)-2-methyl-5-(2-methylpropyl)furan-3-one

(2S)-2-methyl-5-(2-methylpropyl)furan-3-one (PubChem CID 124564292) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-methyl-5-(2-methylpropyl)furan-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-5-(2-methylpropyl)furan-3-one
PubChem CID124564292
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-2-methyl-5-(2-methylpropyl)furan-3-one
SMILESCC(C)CC1=CC(=O)[C@H](C)O1
InChIInChI=1S/C9H14O2/c1-6(2)4-8-5-9(10)7(3)11-8/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeySRGMARRFDPWADI-ZETCQYMHSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-(2-methylpropyl)furan-3-one?
The IUPAC name of (2S)-2-methyl-5-(2-methylpropyl)furan-3-one (CID 124564292) is (2S)-2-methyl-5-(2-methylpropyl)furan-3-one.
What is the SMILES notation for (2S)-2-methyl-5-(2-methylpropyl)furan-3-one?
The canonical SMILES for (2S)-2-methyl-5-(2-methylpropyl)furan-3-one is CC(C)CC1=CC(=O)[C@H](C)O1.
What is the InChIKey of (2S)-2-methyl-5-(2-methylpropyl)furan-3-one?
The InChIKey is SRGMARRFDPWADI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)4-8-5-9(10)7(3)11-8/h5-7H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-5-(2-methylpropyl)furan-3-one?
(2S)-2-methyl-5-(2-methylpropyl)furan-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-(2-methylpropyl)furan-3-one is sourced from PubChem (CID 124564292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).