1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane

C12H21IO — CID 165495011

IUPAC1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane
SMILESCCC1CCC(CI)(OC2CC2)CC1
InChIInChI=1S/C12H21IO/c1-2-10-5-7-12(9-13,8-6-10)14-11-3-4-11/h10-11H,2-9H2,1H3
InChIKeyJPTXSLSOFJEPLZ-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.94
Rot. Bonds4

About 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane

1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane (PubChem CID 165495011) has the molecular formula C12H21IO and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane.

Molecular Properties

Compound Name1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane
PubChem CID165495011
Molecular FormulaC12H21IO
Molecular Weight308.20 g/mol
Exact Mass308.06
IUPAC Name1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane
SMILESCCC1CCC(CI)(OC2CC2)CC1
InChIInChI=1S/C12H21IO/c1-2-10-5-7-12(9-13,8-6-10)14-11-3-4-11/h10-11H,2-9H2,1H3
InChIKeyJPTXSLSOFJEPLZ-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane
CID 63468809
1-(3,4-dimethylcyclohexyl)oxy-1-(iodomethyl)-4-propylcyclohexane
CID 114774360
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
CID 114774147
(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
CID 62110904
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935
N-[[4-ethyl-1-(oxetan-3-yloxy)cyclohexyl]methyl]ethanamine
CID 102607725
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxypropylbenzene
CID 114773857
[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051716
1-[4-ethyl-1-(oxolan-3-yloxy)cyclohexyl]-N-methylmethanamine
CID 63556495
(1-ethoxy-4-ethylcycloheptyl)methanamine
CID 66073194
1-(4-ethyl-1-methoxycyclohexyl)-N-methylmethanamine
CID 62108178

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane?
The IUPAC name of 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane (CID 165495011) is 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane.
What is the SMILES notation for 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane?
The canonical SMILES for 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane is CCC1CCC(CI)(OC2CC2)CC1.
What is the InChIKey of 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane?
The InChIKey is JPTXSLSOFJEPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO/c1-2-10-5-7-12(9-13,8-6-10)14-11-3-4-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane?
1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane has a molecular weight of 308.20 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane is sourced from PubChem (CID 165495011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).