(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane

C9H17IO — CID 101448709

IUPAC(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane
SMILESCC(C)(C)[C@H](I)[C@@H]1CCCO1
InChIInChI=1S/C9H17IO/c1-9(2,3)8(10)7-5-4-6-11-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyGIAGVAWAFMCPPL-JGVFFNPUSA-N
MW268.14 g/mol
LogP3.02
Rot. Bonds1

About (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane

(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane (PubChem CID 101448709) has the molecular formula C9H17IO and a molecular weight of 268.14 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane
PubChem CID101448709
Molecular FormulaC9H17IO
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane
SMILESCC(C)(C)[C@H](I)[C@@H]1CCCO1
InChIInChI=1S/C9H17IO/c1-9(2,3)8(10)7-5-4-6-11-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyGIAGVAWAFMCPPL-JGVFFNPUSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.02
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'}

Analyze (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3-dimethylbutan-2-yl)oxolane
CID 58394782
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679
1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
2-(dipropoxymethyl)oxolane
CID 12664780
2-(oxolan-2-yl)butanal
CID 84716261
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-amino-2-(oxolan-2-yl)ethanol;hydrochloride
CID 69084455

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane?
The IUPAC name of (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane (CID 101448709) is (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane.
What is the SMILES notation for (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane?
The canonical SMILES for (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane is CC(C)(C)[C@H](I)[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane?
The InChIKey is GIAGVAWAFMCPPL-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17IO/c1-9(2,3)8(10)7-5-4-6-11-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane?
(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane has a molecular weight of 268.14 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane is sourced from PubChem (CID 101448709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).