3-chloro-8-methoxydecane

C11H23ClO — CID 552794

IUPAC3-chloro-8-methoxydecane
SMILESCCC(Cl)CCCCC(CC)OC
InChIInChI=1S/C11H23ClO/c1-4-10(12)8-6-7-9-11(5-2)13-3/h10-11H,4-9H2,1-3H3
InChIKeyURFJXZHDNIZWCT-UHFFFAOYSA-N
MW206.76 g/mol
LogP3.99
Rot. Bonds8

About 3-chloro-8-methoxydecane

3-chloro-8-methoxydecane (PubChem CID 552794) has the molecular formula C11H23ClO and a molecular weight of 206.76 g/mol. Its IUPAC name is 3-chloro-8-methoxydecane.

Molecular Properties

Compound Name3-chloro-8-methoxydecane
PubChem CID552794
Molecular FormulaC11H23ClO
Molecular Weight206.76 g/mol
Exact Mass206.14
IUPAC Name3-chloro-8-methoxydecane
SMILESCCC(Cl)CCCCC(CC)OC
InChIInChI=1S/C11H23ClO/c1-4-10(12)8-6-7-9-11(5-2)13-3/h10-11H,4-9H2,1-3H3
InChIKeyURFJXZHDNIZWCT-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 53.99
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

8-Chloro-1-octanol, methyl ether
CID 85630543
3-Chloro-1-methoxyheptane
CID 12426340
3-Chloro-1-methoxyoctane
CID 12426341
2-Butyl-3-chlorotetrahydropyran
CID 12536725
1,3-Dichloro-2-propan-2-yloxydodecane
CID 86660581
n-Hexylchloro-methylether
CID 129776907
1-Chloro-8-[(2-methylpropan-2-yl)oxy]octane
CID 14157602
1-(2-Chloroethoxy)-1-(chloromethyl)nonane
CID 3388244
3-Chloro-1-methoxynonane
CID 12426342
1-Chloro-2-[2-(2-chloroethoxy)ethoxy]decane
CID 12752732
2-Methoxy-5-chlorooctane
CID 13844084
2,6-Dichlor-4-methoxyheptane
CID 14173532

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxydecane?
The IUPAC name of 3-chloro-8-methoxydecane (CID 552794) is 3-chloro-8-methoxydecane.
What is the SMILES notation for 3-chloro-8-methoxydecane?
The canonical SMILES for 3-chloro-8-methoxydecane is CCC(Cl)CCCCC(CC)OC.
What is the InChIKey of 3-chloro-8-methoxydecane?
The InChIKey is URFJXZHDNIZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO/c1-4-10(12)8-6-7-9-11(5-2)13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-chloro-8-methoxydecane?
3-chloro-8-methoxydecane has a molecular weight of 206.76 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxydecane is sourced from PubChem (CID 552794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).