13-chlorotridecan-1-ol

C13H27ClO — CID 12663580

IUPAC13-chlorotridecan-1-ol
SMILESOCCCCCCCCCCCCCCl
InChIInChI=1S/C13H27ClO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
InChIKeyBVBAOYPDLRGZGB-UHFFFAOYSA-N
MW234.81 g/mol
LogP4.51
Rot. Bonds12

About 13-chlorotridecan-1-ol

13-chlorotridecan-1-ol (PubChem CID 12663580) has the molecular formula C13H27ClO and a molecular weight of 234.81 g/mol. Its IUPAC name is 13-chlorotridecan-1-ol.

Molecular Properties

Compound Name13-chlorotridecan-1-ol
PubChem CID12663580
Molecular FormulaC13H27ClO
Molecular Weight234.81 g/mol
Exact Mass234.18
IUPAC Name13-chlorotridecan-1-ol
SMILESOCCCCCCCCCCCCCCl
InChIInChI=1S/C13H27ClO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
InChIKeyBVBAOYPDLRGZGB-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.81
LogP ≤ 54.51
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-chlorooctane;pentan-1-ol
CID 22768543
chloro(2-chloroethyl)silane;6-chlorohexan-1-ol
CID 173448077
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
CID 158555375
CID 158555375
alumane;1,8-dichlorooctane
CID 173313045
hexane-1,6-diol;hydroiodide
CID 175146639

Frequently Asked Questions

What is the IUPAC name of 13-chlorotridecan-1-ol?
The IUPAC name of 13-chlorotridecan-1-ol (CID 12663580) is 13-chlorotridecan-1-ol.
What is the SMILES notation for 13-chlorotridecan-1-ol?
The canonical SMILES for 13-chlorotridecan-1-ol is OCCCCCCCCCCCCCCl.
What is the InChIKey of 13-chlorotridecan-1-ol?
The InChIKey is BVBAOYPDLRGZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2.
What are the key properties of 13-chlorotridecan-1-ol?
13-chlorotridecan-1-ol has a molecular weight of 234.81 g/mol, XLogP of 4.51, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chlorotridecan-1-ol is sourced from PubChem (CID 12663580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).