(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one

C9H13ClO2 — CID 134855738

IUPAC(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one
SMILESCC1=C(Cl)C(=O)O[C@@H]1CC(C)C
InChIInChI=1S/C9H13ClO2/c1-5(2)4-7-6(3)8(10)9(11)12-7/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyBMRLRCCSYNDCHE-SSDOTTSWSA-N
MW188.65 g/mol
LogP2.47
Rot. Bonds2

About (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one

(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one (PubChem CID 134855738) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one
PubChem CID134855738
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one
SMILESCC1=C(Cl)C(=O)O[C@@H]1CC(C)C
InChIInChI=1S/C9H13ClO2/c1-5(2)4-7-6(3)8(10)9(11)12-7/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyBMRLRCCSYNDCHE-SSDOTTSWSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-3,4-dimethyl-2H-furan-5-one
CID 20596712
2,4-dimethyl-3-(2-methylpropyl)-2H-furan-5-one
CID 59125818
5-Chloro-2,3,4-trimethyl-2,3-dihydropyran-6-one
CID 59254193
2,4-dimethyl-3-propan-2-yl-2H-furan-5-one
CID 90723386
2,3,4-tri(propan-2-yl)-2H-furan-5-one
CID 130420734
4-methyl-2,3-di(propan-2-yl)-2H-furan-5-one
CID 11063057
3-chloro-5-ethyl-4-propyl-2(5H)-furanone
CID 14866648
Methyl chloro(2-propylcyclopropylidene)acetate
CID 71326722

Frequently Asked Questions

What is the IUPAC name of (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one?
The IUPAC name of (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one (CID 134855738) is (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one?
The canonical SMILES for (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one is CC1=C(Cl)C(=O)O[C@@H]1CC(C)C.
What is the InChIKey of (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one?
The InChIKey is BMRLRCCSYNDCHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-5(2)4-7-6(3)8(10)9(11)12-7/h5,7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one?
(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one has a molecular weight of 188.65 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one is sourced from PubChem (CID 134855738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).