1-hexoxy-1-(iodomethyl)-4-methylcyclohexane

C14H27IO — CID 114773514

IUPAC1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
SMILESCCCCCCOC1(CI)CCC(C)CC1
InChIInChI=1S/C14H27IO/c1-3-4-5-6-11-16-14(12-15)9-7-13(2)8-10-14/h13H,3-12H2,1-2H3
InChIKeyMTMNWESAVVTJMM-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.97
Rot. Bonds7

About 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane

1-hexoxy-1-(iodomethyl)-4-methylcyclohexane (PubChem CID 114773514) has the molecular formula C14H27IO and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
PubChem CID114773514
Molecular FormulaC14H27IO
Molecular Weight338.27 g/mol
Exact Mass338.11
IUPAC Name1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
SMILESCCCCCCOC1(CI)CCC(C)CC1
InChIInChI=1S/C14H27IO/c1-3-4-5-6-11-16-14(12-15)9-7-13(2)8-10-14/h13H,3-12H2,1-2H3
InChIKeyMTMNWESAVVTJMM-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
1-(iodomethyl)-3-methyl-1-pentoxycyclohexane
CID 114773697
4-hexoxy-4-(iodomethyl)oxane
CID 114773517
1-(2-butoxyethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773263
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
1-(bromomethyl)-4-ethyl-1-heptoxycyclohexane
CID 63475655
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629
1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 55192680
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
CID 114774147
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
4-tert-butyl-1-(2-ethylhexoxy)-1-(iodomethyl)cyclohexane
CID 114773371
3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]oxolane
CID 114773793

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane?
The IUPAC name of 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane (CID 114773514) is 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane.
What is the SMILES notation for 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane?
The canonical SMILES for 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane is CCCCCCOC1(CI)CCC(C)CC1.
What is the InChIKey of 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane?
The InChIKey is MTMNWESAVVTJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IO/c1-3-4-5-6-11-16-14(12-15)9-7-13(2)8-10-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane?
1-hexoxy-1-(iodomethyl)-4-methylcyclohexane has a molecular weight of 338.27 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-1-(iodomethyl)-4-methylcyclohexane is sourced from PubChem (CID 114773514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).