(4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine

C8H14INO — CID 129035101

IUPAC(4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)[C@H]1COC(C)(C)N1I
InChIInChI=1S/C8H14INO/c1-6(2)7-5-11-8(3,4)10(7)9/h7H,1,5H2,2-4H3/t7-/m1/s1
InChIKeyNNFIMRZGWHIZIG-SSDOTTSWSA-N
MW267.11 g/mol
LogP2.35
Rot. Bonds1

About (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine

(4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine (PubChem CID 129035101) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
PubChem CID129035101
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name(4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine
SMILESC=C(C)[C@H]1COC(C)(C)N1I
InChIInChI=1S/C8H14INO/c1-6(2)7-5-11-8(3,4)10(7)9/h7H,1,5H2,2-4H3/t7-/m1/s1
InChIKeyNNFIMRZGWHIZIG-SSDOTTSWSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The IUPAC name of (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine (CID 129035101) is (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine.
What is the SMILES notation for (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The canonical SMILES for (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine is C=C(C)[C@H]1COC(C)(C)N1I.
What is the InChIKey of (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine?
The InChIKey is NNFIMRZGWHIZIG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14INO/c1-6(2)7-5-11-8(3,4)10(7)9/h7H,1,5H2,2-4H3/t7-/m1/s1.
What are the key properties of (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine?
(4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine has a molecular weight of 267.11 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-iodo-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine is sourced from PubChem (CID 129035101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).