2-chlorododecan-5-ol

C12H25ClO — CID 173403763

IUPAC2-chlorododecan-5-ol
SMILESCCCCCCCC(O)CCC(C)Cl
InChIInChI=1S/C12H25ClO/c1-3-4-5-6-7-8-12(14)10-9-11(2)13/h11-12,14H,3-10H2,1-2H3
InChIKeyHRBKMGHAQZGLSR-UHFFFAOYSA-N
MW220.78 g/mol
LogP4.12
Rot. Bonds9

About 2-chlorododecan-5-ol

2-chlorododecan-5-ol (PubChem CID 173403763) has the molecular formula C12H25ClO and a molecular weight of 220.78 g/mol. Its IUPAC name is 2-chlorododecan-5-ol.

Molecular Properties

Compound Name2-chlorododecan-5-ol
PubChem CID173403763
Molecular FormulaC12H25ClO
Molecular Weight220.78 g/mol
Exact Mass220.16
IUPAC Name2-chlorododecan-5-ol
SMILESCCCCCCCC(O)CCC(C)Cl
InChIInChI=1S/C12H25ClO/c1-3-4-5-6-7-8-12(14)10-9-11(2)13/h11-12,14H,3-10H2,1-2H3
InChIKeyHRBKMGHAQZGLSR-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.78
LogP ≤ 54.12
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

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CID 101412726
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
2-methylundecan-5-ol
CID 544080
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528

Frequently Asked Questions

What is the IUPAC name of 2-chlorododecan-5-ol?
The IUPAC name of 2-chlorododecan-5-ol (CID 173403763) is 2-chlorododecan-5-ol.
What is the SMILES notation for 2-chlorododecan-5-ol?
The canonical SMILES for 2-chlorododecan-5-ol is CCCCCCCC(O)CCC(C)Cl.
What is the InChIKey of 2-chlorododecan-5-ol?
The InChIKey is HRBKMGHAQZGLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO/c1-3-4-5-6-7-8-12(14)10-9-11(2)13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-chlorododecan-5-ol?
2-chlorododecan-5-ol has a molecular weight of 220.78 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorododecan-5-ol is sourced from PubChem (CID 173403763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).