1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane

C13H25IO2 — CID 103490011

IUPAC1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane
SMILESCCOCC(C)OC1(CI)CCC(C)CC1
InChIInChI=1S/C13H25IO2/c1-4-15-9-12(3)16-13(10-14)7-5-11(2)6-8-13/h11-12H,4-10H2,1-3H3
InChIKeyLDGVYUBTKXKMJV-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.81
Rot. Bonds6

About 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane

1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane (PubChem CID 103490011) has the molecular formula C13H25IO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane
PubChem CID103490011
Molecular FormulaC13H25IO2
Molecular Weight340.25 g/mol
Exact Mass340.09
IUPAC Name1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane
SMILESCCOCC(C)OC1(CI)CCC(C)CC1
InChIInChI=1S/C13H25IO2/c1-4-15-9-12(3)16-13(10-14)7-5-11(2)6-8-13/h11-12H,4-10H2,1-3H3
InChIKeyLDGVYUBTKXKMJV-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.81
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-(2-Methoxyethoxy)-4-methylcyclohexane
CID 23381124
1-(Diiodomethyl)-4-ethoxycyclohexane
CID 89029321
1-(2-Iodo-2-methylpropoxy)-4-methylcyclohexane
CID 118074670
1-Ethoxy-4-(iodomethyl)cyclohexane
CID 122551397
1-(1-Iodoethoxy)-4-methylcyclohexane
CID 130313159
1-(1-Methoxypropan-2-yloxy)-4-methylcyclohexane
CID 143834509
1-Ethyl-4-(2-methoxyethoxy)cyclohexane
CID 145777608
1-(2-Methoxyethoxy)-4-methylcyclohexane;propane
CID 156885799
1-Ethoxy-4-(1-iodoethyl)cyclohexane
CID 168947443
Ethane;1-(2-methoxyethoxy)-4-methylcyclohexane
CID 177961181
3-{[1-(Iodomethyl)-4-(propan-2-yl)cyclohexyl]oxy}oxetane
CID 102607639
3-{[1-(Iodomethyl)cyclohexyl]oxy}oxetane
CID 102607652

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane?
The IUPAC name of 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane (CID 103490011) is 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane?
The canonical SMILES for 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane is CCOCC(C)OC1(CI)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane?
The InChIKey is LDGVYUBTKXKMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IO2/c1-4-15-9-12(3)16-13(10-14)7-5-11(2)6-8-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane?
1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane has a molecular weight of 340.25 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane is sourced from PubChem (CID 103490011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).