1-heptoxy-1-(iodomethyl)cycloheptane

C15H29IO — CID 114773223

IUPAC1-heptoxy-1-(iodomethyl)cycloheptane
SMILESCCCCCCCOC1(CI)CCCCCC1
InChIInChI=1S/C15H29IO/c1-2-3-4-7-10-13-17-15(14-16)11-8-5-6-9-12-15/h2-14H2,1H3
InChIKeyKAHJMFMAUYEROX-UHFFFAOYSA-N
MW352.30 g/mol
LogP5.50
Rot. Bonds8

About 1-heptoxy-1-(iodomethyl)cycloheptane

1-heptoxy-1-(iodomethyl)cycloheptane (PubChem CID 114773223) has the molecular formula C15H29IO and a molecular weight of 352.30 g/mol. Its IUPAC name is 1-heptoxy-1-(iodomethyl)cycloheptane.

Molecular Properties

Compound Name1-heptoxy-1-(iodomethyl)cycloheptane
PubChem CID114773223
Molecular FormulaC15H29IO
Molecular Weight352.30 g/mol
Exact Mass352.13
IUPAC Name1-heptoxy-1-(iodomethyl)cycloheptane
SMILESCCCCCCCOC1(CI)CCCCCC1
InChIInChI=1S/C15H29IO/c1-2-3-4-7-10-13-17-15(14-16)11-8-5-6-9-12-15/h2-14H2,1H3
InChIKeyKAHJMFMAUYEROX-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.30
LogP ≤ 55.50
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

4-hexoxy-4-(iodomethyl)oxane
CID 114773517
1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
CID 114773514
1-(iodomethyl)-3-methyl-1-pentoxycyclohexane
CID 114773697
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
1-heptoxycycloheptan-1-ol
CID 175442996
1,1-dibutoxycyclooctane
CID 18791994
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
2-(1-butylcyclohexyl)oxyethanol
CID 141443890
1-(2-ethylbutoxy)-1-(iodomethyl)cycloheptane
CID 165493660

Frequently Asked Questions

What is the IUPAC name of 1-heptoxy-1-(iodomethyl)cycloheptane?
The IUPAC name of 1-heptoxy-1-(iodomethyl)cycloheptane (CID 114773223) is 1-heptoxy-1-(iodomethyl)cycloheptane.
What is the SMILES notation for 1-heptoxy-1-(iodomethyl)cycloheptane?
The canonical SMILES for 1-heptoxy-1-(iodomethyl)cycloheptane is CCCCCCCOC1(CI)CCCCCC1.
What is the InChIKey of 1-heptoxy-1-(iodomethyl)cycloheptane?
The InChIKey is KAHJMFMAUYEROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29IO/c1-2-3-4-7-10-13-17-15(14-16)11-8-5-6-9-12-15/h2-14H2,1H3.
What are the key properties of 1-heptoxy-1-(iodomethyl)cycloheptane?
1-heptoxy-1-(iodomethyl)cycloheptane has a molecular weight of 352.30 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptoxy-1-(iodomethyl)cycloheptane is sourced from PubChem (CID 114773223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).