(2S,3R)-3-chloro-1-methoxydecan-2-ol

C11H23ClO2 — CID 13436794

IUPAC(2S,3R)-3-chloro-1-methoxydecan-2-ol
SMILESCCCCCCC[C@@H](Cl)[C@@H](O)COC
InChIInChI=1S/C11H23ClO2/c1-3-4-5-6-7-8-10(12)11(13)9-14-2/h10-11,13H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyZFGZALHHUIPZBF-MNOVXSKESA-N
MW222.76 g/mol
LogP2.96
Rot. Bonds9

About (2S,3R)-3-chloro-1-methoxydecan-2-ol

(2S,3R)-3-chloro-1-methoxydecan-2-ol (PubChem CID 13436794) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is (2S,3R)-3-chloro-1-methoxydecan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-chloro-1-methoxydecan-2-ol
PubChem CID13436794
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Name(2S,3R)-3-chloro-1-methoxydecan-2-ol
SMILESCCCCCCC[C@@H](Cl)[C@@H](O)COC
InChIInChI=1S/C11H23ClO2/c1-3-4-5-6-7-8-10(12)11(13)9-14-2/h10-11,13H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyZFGZALHHUIPZBF-MNOVXSKESA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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2-chloro-1,1-dimethoxynonane
CID 14619929
19-(methoxymethyl)heptatriacontane
CID 59499210
1-methoxy-2-methyldecane
CID 13444249
1-chlorohexadecan-1-ol
CID 87967130
(9S,10S)-9-chloro-10-hydroxyoctadecanoic acid
CID 122201337
10-chloro-9-hydroxyoctadecanoic acid
CID 3014115
(9R,10S)-10-chloro-9-hydroxyoctadecanoic acid
CID 121231139
nonacosane-14,15-diol
CID 91509633
1-methoxy-2,12-dimethyldocosane
CID 91752253
1-fluoropentadecane-3,4-diol
CID 174316140

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-chloro-1-methoxydecan-2-ol?
The IUPAC name of (2S,3R)-3-chloro-1-methoxydecan-2-ol (CID 13436794) is (2S,3R)-3-chloro-1-methoxydecan-2-ol.
What is the SMILES notation for (2S,3R)-3-chloro-1-methoxydecan-2-ol?
The canonical SMILES for (2S,3R)-3-chloro-1-methoxydecan-2-ol is CCCCCCC[C@@H](Cl)[C@@H](O)COC.
What is the InChIKey of (2S,3R)-3-chloro-1-methoxydecan-2-ol?
The InChIKey is ZFGZALHHUIPZBF-MNOVXSKESA-N. The full InChI is InChI=1S/C11H23ClO2/c1-3-4-5-6-7-8-10(12)11(13)9-14-2/h10-11,13H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-3-chloro-1-methoxydecan-2-ol?
(2S,3R)-3-chloro-1-methoxydecan-2-ol has a molecular weight of 222.76 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-chloro-1-methoxydecan-2-ol is sourced from PubChem (CID 13436794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).