5-iodo-2,2,5-trimethyloxane

C8H15IO — CID 170186673

IUPAC5-iodo-2,2,5-trimethyloxane
SMILESCC1(I)CCC(C)(C)OC1
InChIInChI=1S/C8H15IO/c1-7(2)4-5-8(3,9)6-10-7/h4-6H2,1-3H3
InChIKeyWVXSHKKEDUUBBU-UHFFFAOYSA-N
MW254.11 g/mol
LogP2.77
Rot. Bonds

About 5-iodo-2,2,5-trimethyloxane

5-iodo-2,2,5-trimethyloxane (PubChem CID 170186673) has the molecular formula C8H15IO and a molecular weight of 254.11 g/mol. Its IUPAC name is 5-iodo-2,2,5-trimethyloxane.

Molecular Properties

Compound Name5-iodo-2,2,5-trimethyloxane
PubChem CID170186673
Molecular FormulaC8H15IO
Molecular Weight254.11 g/mol
Exact Mass254.02
IUPAC Name5-iodo-2,2,5-trimethyloxane
SMILESCC1(I)CCC(C)(C)OC1
InChIInChI=1S/C8H15IO/c1-7(2)4-5-8(3,9)6-10-7/h4-6H2,1-3H3
InChIKeyWVXSHKKEDUUBBU-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.77
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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Related Compounds

diiodovanadium;2,2-dimethyloxirane
CID 159184352
2,2-dimethyloxirane;methanol
CID 161373463
2,2,5-trimethyl-5-propan-2-yloxane
CID 134573916
2,2-dimethyloxirane;naphthalene
CID 175358693
7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane
CID 129290547
1,1-difluoro-4-iodo-4-methylcyclohexane
CID 118653860
1,4-dimethyl-2,6-dioxabicyclo[2.2.2]octane
CID 157195679
N,2-dimethyl-4-(3,6,6-trimethyloxan-3-yl)butan-2-amine
CID 90975618
(2R)-2-iodo-2-methyloxolane
CID 139354420
2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nonane
CID 11084545
2,2-dimethyloxane;methanamine
CID 144836185
2-chloro-2-methyloxirane
CID 15120421

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,2,5-trimethyloxane?
The IUPAC name of 5-iodo-2,2,5-trimethyloxane (CID 170186673) is 5-iodo-2,2,5-trimethyloxane.
What is the SMILES notation for 5-iodo-2,2,5-trimethyloxane?
The canonical SMILES for 5-iodo-2,2,5-trimethyloxane is CC1(I)CCC(C)(C)OC1.
What is the InChIKey of 5-iodo-2,2,5-trimethyloxane?
The InChIKey is WVXSHKKEDUUBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO/c1-7(2)4-5-8(3,9)6-10-7/h4-6H2,1-3H3.
What are the key properties of 5-iodo-2,2,5-trimethyloxane?
5-iodo-2,2,5-trimethyloxane has a molecular weight of 254.11 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,2,5-trimethyloxane is sourced from PubChem (CID 170186673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).