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

C12H19ClO2 — CID 25138806

IUPAC(2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one
SMILESCCCCCCC[C@@H]1C=C(CCl)C(=O)O1
InChIInChI=1S/C12H19ClO2/c1-2-3-4-5-6-7-11-8-10(9-13)12(14)15-11/h8,11H,2-7,9H2,1H3/t11-/m1/s1
InChIKeySBPJUKMNGFHJOL-LLVKDONJSA-N
MW230.73 g/mol
LogP3.44
Rot. Bonds7

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

(2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one (PubChem CID 25138806) has the molecular formula C12H19ClO2 and a molecular weight of 230.73 g/mol. Its IUPAC name is (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one
PubChem CID25138806
Molecular FormulaC12H19ClO2
Molecular Weight230.73 g/mol
Exact Mass230.11
IUPAC Name(2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one
SMILESCCCCCCC[C@@H]1C=C(CCl)C(=O)O1
InChIInChI=1S/C12H19ClO2/c1-2-3-4-5-6-7-11-8-10(9-13)12(14)15-11/h8,11H,2-7,9H2,1H3/t11-/m1/s1
InChIKeySBPJUKMNGFHJOL-LLVKDONJSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.73
LogP ≤ 53.44
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

4-methyl-2-tridecyl-2H-furan-5-one
CID 118708713
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CID 102452154
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CID 91701894
10-Chlorodecyl (E)-2-methylbut-2-enoate
CID 91701895
(2S)-2-[(5E,8E)-9-chloro-8-methylnona-5,8-dienyl]-2,3-dihydropyran-6-one
CID 60203972
3-chloro-2-heptyl-2H-furan-5-one
CID 10798785
3-methyl-2-pentyl-2H-furan-5-one
CID 14434712
(8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one
CID 14737053
3-butyl-2-heptyl-2H-furan-5-one
CID 15416899
4-methyl-2-pentyl-2H-furan-5-one
CID 10583235
2-hexyl-4-methyl-2H-furan-5-one
CID 13847510
2-methyl-3-octyl-2H-furan-5-one
CID 15233114

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one?
The IUPAC name of (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one (CID 25138806) is (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one is CCCCCCC[C@@H]1C=C(CCl)C(=O)O1.
What is the InChIKey of (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one?
The InChIKey is SBPJUKMNGFHJOL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19ClO2/c1-2-3-4-5-6-7-11-8-10(9-13)12(14)15-11/h8,11H,2-7,9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one?
(2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one has a molecular weight of 230.73 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(chloromethyl)-2-heptyl-2H-furan-5-one is sourced from PubChem (CID 25138806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).