9,10-dichlorodecan-1-ol

C10H20Cl2O — CID 172717979

IUPAC9,10-dichlorodecan-1-ol
SMILESOCCCCCCCCC(Cl)CCl
InChIInChI=1S/C10H20Cl2O/c11-9-10(12)7-5-3-1-2-4-6-8-13/h10,13H,1-9H2
InChIKeyGCUKJGSSZUWNAG-UHFFFAOYSA-N
MW227.17 g/mol
LogP3.56
Rot. Bonds9

About 9,10-dichlorodecan-1-ol

9,10-dichlorodecan-1-ol (PubChem CID 172717979) has the molecular formula C10H20Cl2O and a molecular weight of 227.17 g/mol. Its IUPAC name is 9,10-dichlorodecan-1-ol.

Molecular Properties

Compound Name9,10-dichlorodecan-1-ol
PubChem CID172717979
Molecular FormulaC10H20Cl2O
Molecular Weight227.17 g/mol
Exact Mass226.09
IUPAC Name9,10-dichlorodecan-1-ol
SMILESOCCCCCCCCC(Cl)CCl
InChIInChI=1S/C10H20Cl2O/c11-9-10(12)7-5-3-1-2-4-6-8-13/h10,13H,1-9H2
InChIKeyGCUKJGSSZUWNAG-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 53.56
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

(2R,8S)-1,2,8,9-tetrachlorononane
CID 98103574
5-chlorononane-1,9-diol
CID 87402424
1,1,1,3,9,10-hexachlorodecane
CID 53421412
(2S)-1,2-dichlorododecane
CID 98052710
(7S)-7-chlorooctan-1-ol
CID 139766875
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
tricosane-1,23-diol
CID 25144332
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146

Frequently Asked Questions

What is the IUPAC name of 9,10-dichlorodecan-1-ol?
The IUPAC name of 9,10-dichlorodecan-1-ol (CID 172717979) is 9,10-dichlorodecan-1-ol.
What is the SMILES notation for 9,10-dichlorodecan-1-ol?
The canonical SMILES for 9,10-dichlorodecan-1-ol is OCCCCCCCCC(Cl)CCl.
What is the InChIKey of 9,10-dichlorodecan-1-ol?
The InChIKey is GCUKJGSSZUWNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O/c11-9-10(12)7-5-3-1-2-4-6-8-13/h10,13H,1-9H2.
What are the key properties of 9,10-dichlorodecan-1-ol?
9,10-dichlorodecan-1-ol has a molecular weight of 227.17 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dichlorodecan-1-ol is sourced from PubChem (CID 172717979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).