2-chloro-1,1-dimethoxynonane

C11H23ClO2 — CID 14619929

IUPAC2-chloro-1,1-dimethoxynonane
SMILESCCCCCCCC(Cl)C(OC)OC
InChIInChI=1S/C11H23ClO2/c1-4-5-6-7-8-9-10(12)11(13-2)14-3/h10-11H,4-9H2,1-3H3
InChIKeyZYYMNKDTWZIKHK-UHFFFAOYSA-N
MW222.76 g/mol
LogP3.57
Rot. Bonds9

About 2-chloro-1,1-dimethoxynonane

2-chloro-1,1-dimethoxynonane (PubChem CID 14619929) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is 2-chloro-1,1-dimethoxynonane.

Molecular Properties

Compound Name2-chloro-1,1-dimethoxynonane
PubChem CID14619929
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Name2-chloro-1,1-dimethoxynonane
SMILESCCCCCCCC(Cl)C(OC)OC
InChIInChI=1S/C11H23ClO2/c1-4-5-6-7-8-9-10(12)11(13-2)14-3/h10-11H,4-9H2,1-3H3
InChIKeyZYYMNKDTWZIKHK-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 53.57
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

3-chloro-2-methyltetradecane
CID 63459285
(2S,3R)-3-chloro-1-methoxydecan-2-ol
CID 13436794
1,1-dimethoxytetradecane
CID 13265409
(5S)-5-methoxyundecane
CID 118889956
1,1-dimethoxyheptan-2-amine
CID 79492627
(2R,3R)-1,1-dimethoxydecane-2,3-diol
CID 121009247
1,1-dichloroheptane
CID 13184
17-chlorotritriacontane
CID 87852962
methyl 7,8-dichlorohexadecanoate
CID 14550263
(7R,8R)-7,8-dichlorohexadecanoic acid
CID 98055141
2-(1-methoxyethoxy)dodecane
CID 121368896
1-methoxydodecan-1-ol
CID 19981343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-dimethoxynonane?
The IUPAC name of 2-chloro-1,1-dimethoxynonane (CID 14619929) is 2-chloro-1,1-dimethoxynonane.
What is the SMILES notation for 2-chloro-1,1-dimethoxynonane?
The canonical SMILES for 2-chloro-1,1-dimethoxynonane is CCCCCCCC(Cl)C(OC)OC.
What is the InChIKey of 2-chloro-1,1-dimethoxynonane?
The InChIKey is ZYYMNKDTWZIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO2/c1-4-5-6-7-8-9-10(12)11(13-2)14-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-chloro-1,1-dimethoxynonane?
2-chloro-1,1-dimethoxynonane has a molecular weight of 222.76 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-dimethoxynonane is sourced from PubChem (CID 14619929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).