1-(2-iodocyclopentyl)oxy-3-methylcyclohexane

C12H21IO — CID 114773596

IUPAC1-(2-iodocyclopentyl)oxy-3-methylcyclohexane
SMILESCC1CCCC(OC2CCCC2I)C1
InChIInChI=1S/C12H21IO/c1-9-4-2-5-10(8-9)14-12-7-3-6-11(12)13/h9-12H,2-8H2,1H3
InChIKeyHDDJXZWKGSXFTH-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.94
Rot. Bonds2

About 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane

1-(2-iodocyclopentyl)oxy-3-methylcyclohexane (PubChem CID 114773596) has the molecular formula C12H21IO and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane.

Molecular Properties

Compound Name1-(2-iodocyclopentyl)oxy-3-methylcyclohexane
PubChem CID114773596
Molecular FormulaC12H21IO
Molecular Weight308.20 g/mol
Exact Mass308.06
IUPAC Name1-(2-iodocyclopentyl)oxy-3-methylcyclohexane
SMILESCC1CCCC(OC2CCCC2I)C1
InChIInChI=1S/C12H21IO/c1-9-4-2-5-10(8-9)14-12-7-3-6-11(12)13/h9-12H,2-8H2,1H3
InChIKeyHDDJXZWKGSXFTH-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.94
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

N-methyl-2-(3-methylcyclohexyl)oxycyclohexan-1-amine
CID 55209037
N-ethyl-2-(3-methylcyclohexyl)oxycyclooctan-1-amine
CID 63474385
1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane
CID 165493538
4-(2-iodocyclopentyl)oxyoxane
CID 114772305
1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane
CID 114775186
1-(3-methylcyclohexyl)oxy-4-methylidenecyclohexane
CID 59748641
(1R)-1,3-dimethylcyclohexane
CID 12594306
2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 104674594
3-(3-methylcyclohexyl)oxycyclohexan-1-one
CID 79618591
2-(3-methylcyclohexyl)oxy-4-azatricyclo[4.2.1.03,7]nonane
CID 112747579
(1R)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 89263483
cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 162553401

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane?
The IUPAC name of 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane (CID 114773596) is 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane.
What is the SMILES notation for 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane?
The canonical SMILES for 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane is CC1CCCC(OC2CCCC2I)C1.
What is the InChIKey of 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane?
The InChIKey is HDDJXZWKGSXFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO/c1-9-4-2-5-10(8-9)14-12-7-3-6-11(12)13/h9-12H,2-8H2,1H3.
What are the key properties of 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane?
1-(2-iodocyclopentyl)oxy-3-methylcyclohexane has a molecular weight of 308.20 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodocyclopentyl)oxy-3-methylcyclohexane is sourced from PubChem (CID 114773596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).