1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane

C11H19I — CID 121258369

IUPAC1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane
SMILESCCC1C([C@H](C)C(C)I)C12CC2
InChIInChI=1S/C11H19I/c1-4-9-10(7(2)8(3)12)11(9)5-6-11/h7-10H,4-6H2,1-3H3/t7-,8?,9?,10?/m1/s1
InChIKeyVFONCXWAUFFRGF-QVNBGCGHSA-N
MW278.18 g/mol
LogP3.88
Rot. Bonds3

About 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane

1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane (PubChem CID 121258369) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane.

Molecular Properties

Compound Name1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane
PubChem CID121258369
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane
SMILESCCC1C([C@H](C)C(C)I)C12CC2
InChIInChI=1S/C11H19I/c1-4-9-10(7(2)8(3)12)11(9)5-6-11/h7-10H,4-6H2,1-3H3/t7-,8?,9?,10?/m1/s1
InChIKeyVFONCXWAUFFRGF-QVNBGCGHSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane?
The IUPAC name of 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane (CID 121258369) is 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane.
What is the SMILES notation for 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane?
The canonical SMILES for 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane is CCC1C([C@H](C)C(C)I)C12CC2.
What is the InChIKey of 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane?
The InChIKey is VFONCXWAUFFRGF-QVNBGCGHSA-N. The full InChI is InChI=1S/C11H19I/c1-4-9-10(7(2)8(3)12)11(9)5-6-11/h7-10H,4-6H2,1-3H3/t7-,8?,9?,10?/m1/s1.
What are the key properties of 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane?
1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane has a molecular weight of 278.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2S)-3-iodobutan-2-yl]spiro[2.2]pentane is sourced from PubChem (CID 121258369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).