(2R)-9-chlorononan-2-ol

C9H19ClO — CID 139766902

IUPAC(2R)-9-chlorononan-2-ol
SMILESC[C@@H](O)CCCCCCCCl
InChIInChI=1S/C9H19ClO/c1-9(11)7-5-3-2-4-6-8-10/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyMUGLJIVPUWZKDY-SECBINFHSA-N
MW178.70 g/mol
LogP2.95
Rot. Bonds7

About (2R)-9-chlorononan-2-ol

(2R)-9-chlorononan-2-ol (PubChem CID 139766902) has the molecular formula C9H19ClO and a molecular weight of 178.70 g/mol. Its IUPAC name is (2R)-9-chlorononan-2-ol.

Molecular Properties

Compound Name(2R)-9-chlorononan-2-ol
PubChem CID139766902
Molecular FormulaC9H19ClO
Molecular Weight178.70 g/mol
Exact Mass178.11
IUPAC Name(2R)-9-chlorononan-2-ol
SMILESC[C@@H](O)CCCCCCCCl
InChIInChI=1S/C9H19ClO/c1-9(11)7-5-3-2-4-6-8-10/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyMUGLJIVPUWZKDY-SECBINFHSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

10-chlorodecan-2-ol
CID 139625659
(2S)-5-chloropentan-2-ol
CID 12659782
heptane;heptan-2-ol
CID 157400640
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
henicosan-2-ol
CID 14151023
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
(2R)-8-fluorooctan-2-ol
CID 54347912

Frequently Asked Questions

What is the IUPAC name of (2R)-9-chlorononan-2-ol?
The IUPAC name of (2R)-9-chlorononan-2-ol (CID 139766902) is (2R)-9-chlorononan-2-ol.
What is the SMILES notation for (2R)-9-chlorononan-2-ol?
The canonical SMILES for (2R)-9-chlorononan-2-ol is C[C@@H](O)CCCCCCCCl.
What is the InChIKey of (2R)-9-chlorononan-2-ol?
The InChIKey is MUGLJIVPUWZKDY-SECBINFHSA-N. The full InChI is InChI=1S/C9H19ClO/c1-9(11)7-5-3-2-4-6-8-10/h9,11H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-9-chlorononan-2-ol?
(2R)-9-chlorononan-2-ol has a molecular weight of 178.70 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-9-chlorononan-2-ol is sourced from PubChem (CID 139766902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).