3-(1,2-dichloroethyl)nonan-2-ol

C11H22Cl2O — CID 90809631

IUPAC3-(1,2-dichloroethyl)nonan-2-ol
SMILESCCCCCCC(C(C)O)C(Cl)CCl
InChIInChI=1S/C11H22Cl2O/c1-3-4-5-6-7-10(9(2)14)11(13)8-12/h9-11,14H,3-8H2,1-2H3
InChIKeyVKNQSFPWRZNJFB-UHFFFAOYSA-N
MW241.20 g/mol
LogP3.80
Rot. Bonds8

About 3-(1,2-dichloroethyl)nonan-2-ol

3-(1,2-dichloroethyl)nonan-2-ol (PubChem CID 90809631) has the molecular formula C11H22Cl2O and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-(1,2-dichloroethyl)nonan-2-ol.

Molecular Properties

Compound Name3-(1,2-dichloroethyl)nonan-2-ol
PubChem CID90809631
Molecular FormulaC11H22Cl2O
Molecular Weight241.20 g/mol
Exact Mass240.10
IUPAC Name3-(1,2-dichloroethyl)nonan-2-ol
SMILESCCCCCCC(C(C)O)C(Cl)CCl
InChIInChI=1S/C11H22Cl2O/c1-3-4-5-6-7-10(9(2)14)11(13)8-12/h9-11,14H,3-8H2,1-2H3
InChIKeyVKNQSFPWRZNJFB-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 53.80
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

1,2-dichlorooctan-3-ol
CID 18921135
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
1-chlorononadecan-2-ol
CID 54013510
(2R)-1-chlorooctan-2-ol
CID 12575177
octan-2-ol;vanadium
CID 175998662
1-chlorohexadecan-1-ol
CID 87967130
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dichloroethyl)nonan-2-ol?
The IUPAC name of 3-(1,2-dichloroethyl)nonan-2-ol (CID 90809631) is 3-(1,2-dichloroethyl)nonan-2-ol.
What is the SMILES notation for 3-(1,2-dichloroethyl)nonan-2-ol?
The canonical SMILES for 3-(1,2-dichloroethyl)nonan-2-ol is CCCCCCC(C(C)O)C(Cl)CCl.
What is the InChIKey of 3-(1,2-dichloroethyl)nonan-2-ol?
The InChIKey is VKNQSFPWRZNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl2O/c1-3-4-5-6-7-10(9(2)14)11(13)8-12/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-(1,2-dichloroethyl)nonan-2-ol?
3-(1,2-dichloroethyl)nonan-2-ol has a molecular weight of 241.20 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dichloroethyl)nonan-2-ol is sourced from PubChem (CID 90809631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).