3-(cycloheptylmethoxy)-4-iodooxolane

C12H21IO2 — CID 130495065

IUPAC3-(cycloheptylmethoxy)-4-iodooxolane
SMILESIC1COCC1OCC1CCCCCC1
InChIInChI=1S/C12H21IO2/c13-11-8-14-9-12(11)15-7-10-5-3-1-2-4-6-10/h10-12H,1-9H2
InChIKeyKXXDIKBESPWZFD-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.18
Rot. Bonds3

About 3-(cycloheptylmethoxy)-4-iodooxolane

3-(cycloheptylmethoxy)-4-iodooxolane (PubChem CID 130495065) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-(cycloheptylmethoxy)-4-iodooxolane.

Molecular Properties

Compound Name3-(cycloheptylmethoxy)-4-iodooxolane
PubChem CID130495065
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Name3-(cycloheptylmethoxy)-4-iodooxolane
SMILESIC1COCC1OCC1CCCCCC1
InChIInChI=1S/C12H21IO2/c13-11-8-14-9-12(11)15-7-10-5-3-1-2-4-6-10/h10-12H,1-9H2
InChIKeyKXXDIKBESPWZFD-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.18
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'}

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Related Compounds

1-(cyclohexylmethoxy)-2-iodocyclohexane
CID 114774023
1-(cyclobutylmethoxy)-2-iodocyclohexane
CID 165489873
3-(cyclohexylmethoxy)oxan-4-ol
CID 62383586
2-(cyclohexylmethoxy)cyclohexan-1-ol
CID 62383231
2-(cyclopentylmethoxy)cycloheptan-1-ol
CID 66324580
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
4-[[(4S)-4-ethoxyoxolan-3-yl]oxymethyl]cyclohexan-1-amine
CID 155021500
3-butoxy-4-iodooxolane
CID 114772097
3-iodo-4-(3,3,3-trifluoropropoxy)oxolane
CID 114775005
2-(cyclohexylmethoxy)-4-ethylcyclohexan-1-ol
CID 62383405
2-(cyclohexylmethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63466844
(3R,4R)-3-iodo-4-phenylmethoxyoxolane
CID 165354577

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethoxy)-4-iodooxolane?
The IUPAC name of 3-(cycloheptylmethoxy)-4-iodooxolane (CID 130495065) is 3-(cycloheptylmethoxy)-4-iodooxolane.
What is the SMILES notation for 3-(cycloheptylmethoxy)-4-iodooxolane?
The canonical SMILES for 3-(cycloheptylmethoxy)-4-iodooxolane is IC1COCC1OCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethoxy)-4-iodooxolane?
The InChIKey is KXXDIKBESPWZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO2/c13-11-8-14-9-12(11)15-7-10-5-3-1-2-4-6-10/h10-12H,1-9H2.
What are the key properties of 3-(cycloheptylmethoxy)-4-iodooxolane?
3-(cycloheptylmethoxy)-4-iodooxolane has a molecular weight of 324.20 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethoxy)-4-iodooxolane is sourced from PubChem (CID 130495065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).