2-cyclopropyl-6-(iodomethyl)-2-methyloxane

C10H17IO — CID 130582963

IUPAC2-cyclopropyl-6-(iodomethyl)-2-methyloxane
SMILESCC1(C2CC2)CCCC(CI)O1
InChIInChI=1S/C10H17IO/c1-10(8-4-5-8)6-2-3-9(7-11)12-10/h8-9H,2-7H2,1H3
InChIKeyFVJKZSFANRZVFS-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.16
Rot. Bonds2

About 2-cyclopropyl-6-(iodomethyl)-2-methyloxane

2-cyclopropyl-6-(iodomethyl)-2-methyloxane (PubChem CID 130582963) has the molecular formula C10H17IO and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-cyclopropyl-6-(iodomethyl)-2-methyloxane.

Molecular Properties

Compound Name2-cyclopropyl-6-(iodomethyl)-2-methyloxane
PubChem CID130582963
Molecular FormulaC10H17IO
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name2-cyclopropyl-6-(iodomethyl)-2-methyloxane
SMILESCC1(C2CC2)CCCC(CI)O1
InChIInChI=1S/C10H17IO/c1-10(8-4-5-8)6-2-3-9(7-11)12-10/h8-9H,2-7H2,1H3
InChIKeyFVJKZSFANRZVFS-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(iodomethyl)-2-methyloxane?
The IUPAC name of 2-cyclopropyl-6-(iodomethyl)-2-methyloxane (CID 130582963) is 2-cyclopropyl-6-(iodomethyl)-2-methyloxane.
What is the SMILES notation for 2-cyclopropyl-6-(iodomethyl)-2-methyloxane?
The canonical SMILES for 2-cyclopropyl-6-(iodomethyl)-2-methyloxane is CC1(C2CC2)CCCC(CI)O1.
What is the InChIKey of 2-cyclopropyl-6-(iodomethyl)-2-methyloxane?
The InChIKey is FVJKZSFANRZVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO/c1-10(8-4-5-8)6-2-3-9(7-11)12-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-cyclopropyl-6-(iodomethyl)-2-methyloxane?
2-cyclopropyl-6-(iodomethyl)-2-methyloxane has a molecular weight of 280.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(iodomethyl)-2-methyloxane is sourced from PubChem (CID 130582963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).