1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane

C11H21IO2 — CID 165489619

IUPAC1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane
SMILESCOCC(OC1CCCC1I)C(C)C
InChIInChI=1S/C11H21IO2/c1-8(2)11(7-13-3)14-10-6-4-5-9(10)12/h8-11H,4-7H2,1-3H3
InChIKeyYLTNKFYYFISBIH-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.03
Rot. Bonds5

About 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane

1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane (PubChem CID 165489619) has the molecular formula C11H21IO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane.

Molecular Properties

Compound Name1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane
PubChem CID165489619
Molecular FormulaC11H21IO2
Molecular Weight312.19 g/mol
Exact Mass312.06
IUPAC Name1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane
SMILESCOCC(OC1CCCC1I)C(C)C
InChIInChI=1S/C11H21IO2/c1-8(2)11(7-13-3)14-10-6-4-5-9(10)12/h8-11H,4-7H2,1-3H3
InChIKeyYLTNKFYYFISBIH-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane?
The IUPAC name of 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane (CID 165489619) is 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane.
What is the SMILES notation for 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane?
The canonical SMILES for 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane is COCC(OC1CCCC1I)C(C)C.
What is the InChIKey of 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane?
The InChIKey is YLTNKFYYFISBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO2/c1-8(2)11(7-13-3)14-10-6-4-5-9(10)12/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane?
1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane has a molecular weight of 312.19 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(1-methoxy-3-methylbutan-2-yl)oxycyclopentane is sourced from PubChem (CID 165489619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).