(6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one

C15H25IO — CID 129233623

IUPAC(6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one
SMILESC=C(C)C[C@@H](C)[C@H]1CCC(C)(C)C(CI)C1=O
InChIInChI=1S/C15H25IO/c1-10(2)8-11(3)12-6-7-15(4,5)13(9-16)14(12)17/h11-13H,1,6-9H2,2-5H3/t11-,12-,13?/m1/s1
InChIKeyMNJFMQWCMLIWSI-ZNRZSNADSA-N
MW348.27 g/mol
LogP4.65
Rot. Bonds4

About (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one

(6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one (PubChem CID 129233623) has the molecular formula C15H25IO and a molecular weight of 348.27 g/mol. Its IUPAC name is (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one
PubChem CID129233623
Molecular FormulaC15H25IO
Molecular Weight348.27 g/mol
Exact Mass348.10
IUPAC Name(6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one
SMILESC=C(C)C[C@@H](C)[C@H]1CCC(C)(C)C(CI)C1=O
InChIInChI=1S/C15H25IO/c1-10(2)8-11(3)12-6-7-15(4,5)13(9-16)14(12)17/h11-13H,1,6-9H2,2-5H3/t11-,12-,13?/m1/s1
InChIKeyMNJFMQWCMLIWSI-ZNRZSNADSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one?
The IUPAC name of (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one (CID 129233623) is (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one.
What is the SMILES notation for (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one?
The canonical SMILES for (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one is C=C(C)C[C@@H](C)[C@H]1CCC(C)(C)C(CI)C1=O.
What is the InChIKey of (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one?
The InChIKey is MNJFMQWCMLIWSI-ZNRZSNADSA-N. The full InChI is InChI=1S/C15H25IO/c1-10(2)8-11(3)12-6-7-15(4,5)13(9-16)14(12)17/h11-13H,1,6-9H2,2-5H3/t11-,12-,13?/m1/s1.
What are the key properties of (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one?
(6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one has a molecular weight of 348.27 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(iodomethyl)-3,3-dimethyl-6-[(2R)-4-methylpent-4-en-2-yl]cyclohexan-1-one is sourced from PubChem (CID 129233623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).