1-(dichloromethoxy)decylcyclopropane

C14H26Cl2O — CID 172859806

IUPAC1-(dichloromethoxy)decylcyclopropane
SMILESCCCCCCCCCC(OC(Cl)Cl)C1CC1
InChIInChI=1S/C14H26Cl2O/c1-2-3-4-5-6-7-8-9-13(12-10-11-12)17-14(15)16/h12-14H,2-11H2,1H3
InChIKeyZETRHEVFABHVFS-UHFFFAOYSA-N
MW281.27 g/mol
LogP5.68
Rot. Bonds11

About 1-(dichloromethoxy)decylcyclopropane

1-(dichloromethoxy)decylcyclopropane (PubChem CID 172859806) has the molecular formula C14H26Cl2O and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-(dichloromethoxy)decylcyclopropane.

Molecular Properties

Compound Name1-(dichloromethoxy)decylcyclopropane
PubChem CID172859806
Molecular FormulaC14H26Cl2O
Molecular Weight281.27 g/mol
Exact Mass280.14
IUPAC Name1-(dichloromethoxy)decylcyclopropane
SMILESCCCCCCCCCC(OC(Cl)Cl)C1CC1
InChIInChI=1S/C14H26Cl2O/c1-2-3-4-5-6-7-8-9-13(12-10-11-12)17-14(15)16/h12-14H,2-11H2,1H3
InChIKeyZETRHEVFABHVFS-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.27
LogP ≤ 55.68
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'}

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Related Compounds

1-(dimethoxymethoxy)nonylcyclohexane
CID 151905093
1-cyclopropyloctylcyclopropane
CID 141276542
octan-2-ylcyclopropane
CID 18968125
1-(cyclopentylmethoxy)nonylcyclopentane
CID 172556849
1-(cyclopentylmethoxy)octylcyclopentane
CID 156699626
tris(1-cyclohexylhexadecyl) phosphate
CID 88626297
2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
CID 68619255
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-bromotetradecylcyclopropane
CID 55193412
1-cyclopropylundecyl 8-bromooctanoate
CID 171562273

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethoxy)decylcyclopropane?
The IUPAC name of 1-(dichloromethoxy)decylcyclopropane (CID 172859806) is 1-(dichloromethoxy)decylcyclopropane.
What is the SMILES notation for 1-(dichloromethoxy)decylcyclopropane?
The canonical SMILES for 1-(dichloromethoxy)decylcyclopropane is CCCCCCCCCC(OC(Cl)Cl)C1CC1.
What is the InChIKey of 1-(dichloromethoxy)decylcyclopropane?
The InChIKey is ZETRHEVFABHVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Cl2O/c1-2-3-4-5-6-7-8-9-13(12-10-11-12)17-14(15)16/h12-14H,2-11H2,1H3.
What are the key properties of 1-(dichloromethoxy)decylcyclopropane?
1-(dichloromethoxy)decylcyclopropane has a molecular weight of 281.27 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethoxy)decylcyclopropane is sourced from PubChem (CID 172859806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).