1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane

C11H21IO — CID 126493430

IUPAC1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane
SMILESCC(C)C1(O[C@H](C)I)CCCCC1
InChIInChI=1S/C11H21IO/c1-9(2)11(13-10(3)12)7-5-4-6-8-11/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyJHFZWLXCVWGRQZ-SNVBAGLBSA-N
MW296.19 g/mol
LogP4.14
Rot. Bonds3

About 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane

1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane (PubChem CID 126493430) has the molecular formula C11H21IO and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane
PubChem CID126493430
Molecular FormulaC11H21IO
Molecular Weight296.19 g/mol
Exact Mass296.06
IUPAC Name1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane
SMILESCC(C)C1(O[C@H](C)I)CCCCC1
InChIInChI=1S/C11H21IO/c1-9(2)11(13-10(3)12)7-5-4-6-8-11/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyJHFZWLXCVWGRQZ-SNVBAGLBSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 54.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane?
The IUPAC name of 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane (CID 126493430) is 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane?
The canonical SMILES for 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane is CC(C)C1(O[C@H](C)I)CCCCC1.
What is the InChIKey of 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane?
The InChIKey is JHFZWLXCVWGRQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21IO/c1-9(2)11(13-10(3)12)7-5-4-6-8-11/h9-10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane?
1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane has a molecular weight of 296.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-iodoethoxy]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 126493430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).