(3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one

C10H15IO2 — CID 11833269

IUPAC(3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one
SMILESC=C(C)[C@@H](CCI)[C@@H]1CCOC1=O
InChIInChI=1S/C10H15IO2/c1-7(2)8(3-5-11)9-4-6-13-10(9)12/h8-9H,1,3-6H2,2H3/t8-,9+/m1/s1
InChIKeyQDUZUSIDVNXGPG-BDAKNGLRSA-N
MW294.13 g/mol
LogP2.57
Rot. Bonds4

About (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one

(3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one (PubChem CID 11833269) has the molecular formula C10H15IO2 and a molecular weight of 294.13 g/mol. Its IUPAC name is (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one
PubChem CID11833269
Molecular FormulaC10H15IO2
Molecular Weight294.13 g/mol
Exact Mass294.01
IUPAC Name(3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one
SMILESC=C(C)[C@@H](CCI)[C@@H]1CCOC1=O
InChIInChI=1S/C10H15IO2/c1-7(2)8(3-5-11)9-4-6-13-10(9)12/h8-9H,1,3-6H2,2H3/t8-,9+/m1/s1
InChIKeyQDUZUSIDVNXGPG-BDAKNGLRSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 52.57
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one?
The IUPAC name of (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one (CID 11833269) is (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one?
The canonical SMILES for (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one is C=C(C)[C@@H](CCI)[C@@H]1CCOC1=O.
What is the InChIKey of (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one?
The InChIKey is QDUZUSIDVNXGPG-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15IO2/c1-7(2)8(3-5-11)9-4-6-13-10(9)12/h8-9H,1,3-6H2,2H3/t8-,9+/m1/s1.
What are the key properties of (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one?
(3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one has a molecular weight of 294.13 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3S)-5-iodo-2-methylpent-1-en-3-yl]oxolan-2-one is sourced from PubChem (CID 11833269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).