1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane

C15H27IO — CID 114773602

IUPAC1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane
SMILESCC1CCCC(OC2(CI)CCCC(C)C2)C1
InChIInChI=1S/C15H27IO/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h12-14H,3-11H2,1-2H3
InChIKeyBGUXIKZZEJCUCR-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.97
Rot. Bonds3

About 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane

1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane (PubChem CID 114773602) has the molecular formula C15H27IO and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane
PubChem CID114773602
Molecular FormulaC15H27IO
Molecular Weight350.28 g/mol
Exact Mass350.11
IUPAC Name1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane
SMILESCC1CCCC(OC2(CI)CCCC(C)C2)C1
InChIInChI=1S/C15H27IO/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h12-14H,3-11H2,1-2H3
InChIKeyBGUXIKZZEJCUCR-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.97
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

[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093
4-[1-(iodomethyl)-3-methylcyclohexyl]oxyoxane
CID 165489538
[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane
CID 63470076
1-(iodomethyl)-3-methyl-1-pentoxycyclohexane
CID 114773697
1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-3-methylcyclohexane
CID 103490022
2-[[1-(iodomethyl)-3-methylcyclohexyl]oxymethyl]oxane
CID 114772658
1-(bromomethyl)-1-(cyclobutylmethoxy)-3-methylcyclohexane
CID 165489879
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
1-(3-methylcyclohexyl)oxycyclopentane-1-carboxylic acid
CID 114988328
1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
CID 79638218

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane?
The IUPAC name of 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane (CID 114773602) is 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane.
What is the SMILES notation for 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane?
The canonical SMILES for 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane is CC1CCCC(OC2(CI)CCCC(C)C2)C1.
What is the InChIKey of 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane?
The InChIKey is BGUXIKZZEJCUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27IO/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane?
1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane has a molecular weight of 350.28 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane is sourced from PubChem (CID 114773602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).