3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane

C16H29ClO3 — CID 103176169

IUPAC3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
SMILESCOCCCOCCOC1CC(Cl)C12CCCCCC2
InChIInChI=1S/C16H29ClO3/c1-18-9-6-10-19-11-12-20-15-13-14(17)16(15)7-4-2-3-5-8-16/h14-15H,2-13H2,1H3
InChIKeyHTZIYRWGWUZRJV-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.78
Rot. Bonds8

About 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane

3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane (PubChem CID 103176169) has the molecular formula C16H29ClO3 and a molecular weight of 304.86 g/mol. Its IUPAC name is 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane.

Molecular Properties

Compound Name3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
PubChem CID103176169
Molecular FormulaC16H29ClO3
Molecular Weight304.86 g/mol
Exact Mass304.18
IUPAC Name3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
SMILESCOCCCOCCOC1CC(Cl)C12CCCCCC2
InChIInChI=1S/C16H29ClO3/c1-18-9-6-10-19-11-12-20-15-13-14(17)16(15)7-4-2-3-5-8-16/h14-15H,2-13H2,1H3
InChIKeyHTZIYRWGWUZRJV-UHFFFAOYSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
CID 66346140
3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
CID 103176206
3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
CID 103408106
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
CID 103408040
3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
CID 66357984
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol
CID 103176134
3-chloro-1-cycloheptyloxyspiro[3.6]decane
CID 66345621
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
CID 66344469
3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
CID 82009453
1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane
CID 103408042
3-chloro-1-(2-ethylhexoxy)spiro[3.4]octane
CID 66344483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane?
The IUPAC name of 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane (CID 103176169) is 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane.
What is the SMILES notation for 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane?
The canonical SMILES for 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane is COCCCOCCOC1CC(Cl)C12CCCCCC2.
What is the InChIKey of 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane?
The InChIKey is HTZIYRWGWUZRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClO3/c1-18-9-6-10-19-11-12-20-15-13-14(17)16(15)7-4-2-3-5-8-16/h14-15H,2-13H2,1H3.
What are the key properties of 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane?
3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane has a molecular weight of 304.86 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane is sourced from PubChem (CID 103176169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).