(6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one

C9H15IO2 — CID 102487593

IUPAC(6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one
SMILESCC(C)[C@@]1(CI)CCCC(=O)O1
InChIInChI=1S/C9H15IO2/c1-7(2)9(6-10)5-3-4-8(11)12-9/h7H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyQLZHYVYMMFJCSM-VIFPVBQESA-N
MW282.12 g/mol
LogP2.54
Rot. Bonds2

About (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one

(6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one (PubChem CID 102487593) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one.

Molecular Properties

Compound Name(6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one
PubChem CID102487593
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name(6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one
SMILESCC(C)[C@@]1(CI)CCCC(=O)O1
InChIInChI=1S/C9H15IO2/c1-7(2)9(6-10)5-3-4-8(11)12-9/h7H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyQLZHYVYMMFJCSM-VIFPVBQESA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 129388764
(6R)-6-(4-fluorophenyl)-6-(iodomethyl)oxan-2-one
CID 57407556
(6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one
CID 134975017
6,6-dibutyloxan-2-one
CID 10822452
6-ethyl-6-propan-2-yloxane-2,4-dione
CID 57185306
2,2-diethyl-1,3-dioxocane-4,8-dione
CID 70532987
2-hydroxy-2-(4-hydroxypentyl)-1,3-dioxonane-4,9-dione
CID 140574837
(6R)-6-(iodomethyl)-6-[4-(trifluoromethyl)phenyl]oxan-2-one
CID 102487590
(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one
CID 45097864
5-iodo-5-methyloxolan-2-one
CID 129281770
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one?
The IUPAC name of (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one (CID 102487593) is (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one.
What is the SMILES notation for (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one?
The canonical SMILES for (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one is CC(C)[C@@]1(CI)CCCC(=O)O1.
What is the InChIKey of (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one?
The InChIKey is QLZHYVYMMFJCSM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15IO2/c1-7(2)9(6-10)5-3-4-8(11)12-9/h7H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one?
(6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one has a molecular weight of 282.12 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one is sourced from PubChem (CID 102487593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).