3-chloro-2,4-dimethyloctane-2,4-diol

C10H21ClO2 — CID 102249443

IUPAC3-chloro-2,4-dimethyloctane-2,4-diol
SMILESCCCCC(C)(O)C(Cl)C(C)(C)O
InChIInChI=1S/C10H21ClO2/c1-5-6-7-10(4,13)8(11)9(2,3)12/h8,12-13H,5-7H2,1-4H3
InChIKeyRSJIYPZARLUKCA-UHFFFAOYSA-N
MW208.73 g/mol
LogP2.31
Rot. Bonds5

About 3-chloro-2,4-dimethyloctane-2,4-diol

3-chloro-2,4-dimethyloctane-2,4-diol (PubChem CID 102249443) has the molecular formula C10H21ClO2 and a molecular weight of 208.73 g/mol. Its IUPAC name is 3-chloro-2,4-dimethyloctane-2,4-diol.

Molecular Properties

Compound Name3-chloro-2,4-dimethyloctane-2,4-diol
PubChem CID102249443
Molecular FormulaC10H21ClO2
Molecular Weight208.73 g/mol
Exact Mass208.12
IUPAC Name3-chloro-2,4-dimethyloctane-2,4-diol
SMILESCCCCC(C)(O)C(Cl)C(C)(C)O
InChIInChI=1S/C10H21ClO2/c1-5-6-7-10(4,13)8(11)9(2,3)12/h8,12-13H,5-7H2,1-4H3
InChIKeyRSJIYPZARLUKCA-UHFFFAOYSA-N
XLogP2.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-2,3-dimethyloctan-3-ol
CID 25021578
2,3-dimethyltridecan-3-ol
CID 14591139
gold;2-methylhexan-2-ol
CID 18513333
2-methylhexan-2-ol;yttrium
CID 58823506
4-(aminomethyl)-5-methylnonan-5-ol
CID 165443396
1,1-dimethoxy-2-methylheptan-2-ol
CID 66038845
(4R)-4-chloro-4-methyloctane
CID 129374949
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
2-chloro-4,4-dimethyloctane
CID 64718117
2,3-dichloroheptan-2-ol
CID 150485073

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dimethyloctane-2,4-diol?
The IUPAC name of 3-chloro-2,4-dimethyloctane-2,4-diol (CID 102249443) is 3-chloro-2,4-dimethyloctane-2,4-diol.
What is the SMILES notation for 3-chloro-2,4-dimethyloctane-2,4-diol?
The canonical SMILES for 3-chloro-2,4-dimethyloctane-2,4-diol is CCCCC(C)(O)C(Cl)C(C)(C)O.
What is the InChIKey of 3-chloro-2,4-dimethyloctane-2,4-diol?
The InChIKey is RSJIYPZARLUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO2/c1-5-6-7-10(4,13)8(11)9(2,3)12/h8,12-13H,5-7H2,1-4H3.
What are the key properties of 3-chloro-2,4-dimethyloctane-2,4-diol?
3-chloro-2,4-dimethyloctane-2,4-diol has a molecular weight of 208.73 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dimethyloctane-2,4-diol is sourced from PubChem (CID 102249443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).