1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane

C17H31IO — CID 114773990

IUPAC1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane
SMILESCCCC1CCC(CI)(OCC2CCCCC2)CC1
InChIInChI=1S/C17H31IO/c1-2-6-15-9-11-17(14-18,12-10-15)19-13-16-7-4-3-5-8-16/h15-16H,2-14H2,1H3
InChIKeyKCOLAOZKYIXDTF-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.75
Rot. Bonds6

About 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane

1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane (PubChem CID 114773990) has the molecular formula C17H31IO and a molecular weight of 378.34 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane
PubChem CID114773990
Molecular FormulaC17H31IO
Molecular Weight378.34 g/mol
Exact Mass378.14
IUPAC Name1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane
SMILESCCCC1CCC(CI)(OCC2CCCCC2)CC1
InChIInChI=1S/C17H31IO/c1-2-6-15-9-11-17(14-18,12-10-15)19-13-16-7-4-3-5-8-16/h15-16H,2-14H2,1H3
InChIKeyKCOLAOZKYIXDTF-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.75
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-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine
CID 66322903
1-(2-butoxyethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773263
1-(iodomethyl)-1-(3-methylbutoxy)-4-propylcyclohexane
CID 114772898
propylcyclotetradecane
CID 90991550
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
CID 63474851
1-(3,4-dimethylcyclohexyl)oxy-1-(iodomethyl)-4-propylcyclohexane
CID 114774360
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
2-[1-(cyclohexylmethoxy)cyclobutyl]ethanamine
CID 103273986
1-(2-cyclobutylethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 106204827
7-propylspiro[3.5]nonane
CID 144910869

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane?
The IUPAC name of 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane (CID 114773990) is 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane.
What is the SMILES notation for 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane?
The canonical SMILES for 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane is CCCC1CCC(CI)(OCC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane?
The InChIKey is KCOLAOZKYIXDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31IO/c1-2-6-15-9-11-17(14-18,12-10-15)19-13-16-7-4-3-5-8-16/h15-16H,2-14H2,1H3.
What are the key properties of 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane?
1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane has a molecular weight of 378.34 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane is sourced from PubChem (CID 114773990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).