(2R,3R)-1-chloroheptane-2,3-diol

C7H15ClO2 — CID 102376959

IUPAC(2R,3R)-1-chloroheptane-2,3-diol
SMILESCCCC[C@@H](O)[C@@H](O)CCl
InChIInChI=1S/C7H15ClO2/c1-2-3-4-6(9)7(10)5-8/h6-7,9-10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyRPONQQLIMKPRDX-RQJHMYQMSA-N
MW166.65 g/mol
LogP1.14
Rot. Bonds5

About (2R,3R)-1-chloroheptane-2,3-diol

(2R,3R)-1-chloroheptane-2,3-diol (PubChem CID 102376959) has the molecular formula C7H15ClO2 and a molecular weight of 166.65 g/mol. Its IUPAC name is (2R,3R)-1-chloroheptane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1-chloroheptane-2,3-diol
PubChem CID102376959
Molecular FormulaC7H15ClO2
Molecular Weight166.65 g/mol
Exact Mass166.08
IUPAC Name(2R,3R)-1-chloroheptane-2,3-diol
SMILESCCCC[C@@H](O)[C@@H](O)CCl
InChIInChI=1S/C7H15ClO2/c1-2-3-4-6(9)7(10)5-8/h6-7,9-10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyRPONQQLIMKPRDX-RQJHMYQMSA-N
XLogP1.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 51.14
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

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1,1-dichlorohexan-2-ol
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CID 91509633
1,2-dichlorooctan-3-ol
CID 18921135
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
pentadecane-4,5-diol
CID 103454846
heptane-1,2,3-triol;propane-1,2,3-triol
CID 141381425
1-(5,6-dihydroxydecoxy)decane-5,6-diol
CID 91000275
(5R,6S)-dec-1-ene-5,6-diol
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CID 10844929

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-chloroheptane-2,3-diol?
The IUPAC name of (2R,3R)-1-chloroheptane-2,3-diol (CID 102376959) is (2R,3R)-1-chloroheptane-2,3-diol.
What is the SMILES notation for (2R,3R)-1-chloroheptane-2,3-diol?
The canonical SMILES for (2R,3R)-1-chloroheptane-2,3-diol is CCCC[C@@H](O)[C@@H](O)CCl.
What is the InChIKey of (2R,3R)-1-chloroheptane-2,3-diol?
The InChIKey is RPONQQLIMKPRDX-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15ClO2/c1-2-3-4-6(9)7(10)5-8/h6-7,9-10H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (2R,3R)-1-chloroheptane-2,3-diol?
(2R,3R)-1-chloroheptane-2,3-diol has a molecular weight of 166.65 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-chloroheptane-2,3-diol is sourced from PubChem (CID 102376959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).