(2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one

C10H15ClO2 — CID 25138807

IUPAC(2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one
SMILESCCCCC[C@@H]1C=C(CCl)C(=O)O1
InChIInChI=1S/C10H15ClO2/c1-2-3-4-5-9-6-8(7-11)10(12)13-9/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyLNWNDJJNQBHVNE-SECBINFHSA-N
MW202.68 g/mol
LogP2.66
Rot. Bonds5

About (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one

(2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one (PubChem CID 25138807) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one
PubChem CID25138807
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name(2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one
SMILESCCCCC[C@@H]1C=C(CCl)C(=O)O1
InChIInChI=1S/C10H15ClO2/c1-2-3-4-5-9-6-8(7-11)10(12)13-9/h6,9H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyLNWNDJJNQBHVNE-SECBINFHSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-pentyl-4-(2-phenylethyl)-2H-furan-5-one
CID 13177790
4-(3-chlorophenyl)-2-pentyl-2H-furan-5-one
CID 506559
3-[(2R)-4-(3-chloropropyl)-5-oxo-2H-furan-2-yl]propanoic acid
CID 101361915
(2S)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 14188599
(2R)-4-heptyl-2-methyl-2H-furan-5-one
CID 10774282
(2S)-2-methyl-4-[15-[(2R,3S)-3-tetradecyloxiran-2-yl]pentadecyl]-2H-furan-5-one
CID 101256892
4-(benzenesulfinyl)-2-butyl-2H-furan-5-one
CID 14503042
(2R)-4-[12-[(2R,3R)-3-[2-[(2R,3S)-3-[2-[(2R,3R)-3-decyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one
CID 162895039
2-dotriacontyl-2,5-dihydropyran-6-one
CID 123999282
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
4-dodecyloxetan-2-one
CID 90110174
(2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
CID 10939489

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one?
The IUPAC name of (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one (CID 25138807) is (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one is CCCCC[C@@H]1C=C(CCl)C(=O)O1.
What is the InChIKey of (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one?
The InChIKey is LNWNDJJNQBHVNE-SECBINFHSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-2-3-4-5-9-6-8(7-11)10(12)13-9/h6,9H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one?
(2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one has a molecular weight of 202.68 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(chloromethyl)-2-pentyl-2H-furan-5-one is sourced from PubChem (CID 25138807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).