1,5-dichloropentane-1,5-diol

C5H10Cl2O2 — CID 57079460

IUPAC1,5-dichloropentane-1,5-diol
SMILESOC(Cl)CCCC(O)Cl
InChIInChI=1S/C5H10Cl2O2/c6-4(8)2-1-3-5(7)9/h4-5,8-9H,1-3H2
InChIKeyBDOTYTOLPSIRJQ-UHFFFAOYSA-N
MW173.04 g/mol
LogP1.27
Rot. Bonds4

About 1,5-dichloropentane-1,5-diol

1,5-dichloropentane-1,5-diol (PubChem CID 57079460) has the molecular formula C5H10Cl2O2 and a molecular weight of 173.04 g/mol. Its IUPAC name is 1,5-dichloropentane-1,5-diol.

Molecular Properties

Compound Name1,5-dichloropentane-1,5-diol
PubChem CID57079460
Molecular FormulaC5H10Cl2O2
Molecular Weight173.04 g/mol
Exact Mass172.01
IUPAC Name1,5-dichloropentane-1,5-diol
SMILESOC(Cl)CCCC(O)Cl
InChIInChI=1S/C5H10Cl2O2/c6-4(8)2-1-3-5(7)9/h4-5,8-9H,1-3H2
InChIKeyBDOTYTOLPSIRJQ-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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[(3S)-3-chloro-3-hydroxypropyl]-trimethylazanium
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alumane;1,2-dichloroethanol
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3-(2-butoxyethoxy)-1-chloropropan-1-ol
CID 175308716
1-chloro-4-(dimethylamino)pentane-1,5-diol
CID 129013782
1-chloro-3-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 174758586
1,1,6,6-tetrachlorohexane
CID 87407260
dichloromethanol;hydrate
CID 90388794
1-chloropropane-1,3-diol;octadecanoic acid
CID 175542698

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloropentane-1,5-diol?
The IUPAC name of 1,5-dichloropentane-1,5-diol (CID 57079460) is 1,5-dichloropentane-1,5-diol.
What is the SMILES notation for 1,5-dichloropentane-1,5-diol?
The canonical SMILES for 1,5-dichloropentane-1,5-diol is OC(Cl)CCCC(O)Cl.
What is the InChIKey of 1,5-dichloropentane-1,5-diol?
The InChIKey is BDOTYTOLPSIRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2/c6-4(8)2-1-3-5(7)9/h4-5,8-9H,1-3H2.
What are the key properties of 1,5-dichloropentane-1,5-diol?
1,5-dichloropentane-1,5-diol has a molecular weight of 173.04 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloropentane-1,5-diol is sourced from PubChem (CID 57079460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).