1-(1-chloroethoxymethoxy)dodecane

C15H31ClO2 — CID 174404410

IUPAC1-(1-chloroethoxymethoxy)dodecane
SMILESCCCCCCCCCCCCOCOC(C)Cl
InChIInChI=1S/C15H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-18-15(2)16/h15H,3-14H2,1-2H3
InChIKeyPXNNMTNYKFWYKM-UHFFFAOYSA-N
MW278.86 g/mol
LogP5.48
Rot. Bonds14

About 1-(1-chloroethoxymethoxy)dodecane

1-(1-chloroethoxymethoxy)dodecane (PubChem CID 174404410) has the molecular formula C15H31ClO2 and a molecular weight of 278.86 g/mol. Its IUPAC name is 1-(1-chloroethoxymethoxy)dodecane.

Molecular Properties

Compound Name1-(1-chloroethoxymethoxy)dodecane
PubChem CID174404410
Molecular FormulaC15H31ClO2
Molecular Weight278.86 g/mol
Exact Mass278.20
IUPAC Name1-(1-chloroethoxymethoxy)dodecane
SMILESCCCCCCCCCCCCOCOC(C)Cl
InChIInChI=1S/C15H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-18-15(2)16/h15H,3-14H2,1-2H3
InChIKeyPXNNMTNYKFWYKM-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.86
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxyethoxymethoxy)undecane
CID 88750695
1-(1,3-dichloropropan-2-yloxymethoxy)pentane
CID 134986505
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethoxymethoxy)dodecane?
The IUPAC name of 1-(1-chloroethoxymethoxy)dodecane (CID 174404410) is 1-(1-chloroethoxymethoxy)dodecane.
What is the SMILES notation for 1-(1-chloroethoxymethoxy)dodecane?
The canonical SMILES for 1-(1-chloroethoxymethoxy)dodecane is CCCCCCCCCCCCOCOC(C)Cl.
What is the InChIKey of 1-(1-chloroethoxymethoxy)dodecane?
The InChIKey is PXNNMTNYKFWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-18-15(2)16/h15H,3-14H2,1-2H3.
What are the key properties of 1-(1-chloroethoxymethoxy)dodecane?
1-(1-chloroethoxymethoxy)dodecane has a molecular weight of 278.86 g/mol, XLogP of 5.48, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethoxymethoxy)dodecane is sourced from PubChem (CID 174404410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).