5-chloro-2,2-dimethoxypentan-1-ol

C7H15ClO3 — CID 174742115

IUPAC5-chloro-2,2-dimethoxypentan-1-ol
SMILESCOC(CO)(CCCCl)OC
InChIInChI=1S/C7H15ClO3/c1-10-7(6-9,11-2)4-3-5-8/h9H,3-6H2,1-2H3
InChIKeyULQZUVFXKPEJQL-UHFFFAOYSA-N
MW182.65 g/mol
LogP0.99
Rot. Bonds6

About 5-chloro-2,2-dimethoxypentan-1-ol

5-chloro-2,2-dimethoxypentan-1-ol (PubChem CID 174742115) has the molecular formula C7H15ClO3 and a molecular weight of 182.65 g/mol. Its IUPAC name is 5-chloro-2,2-dimethoxypentan-1-ol.

Molecular Properties

Compound Name5-chloro-2,2-dimethoxypentan-1-ol
PubChem CID174742115
Molecular FormulaC7H15ClO3
Molecular Weight182.65 g/mol
Exact Mass182.07
IUPAC Name5-chloro-2,2-dimethoxypentan-1-ol
SMILESCOC(CO)(CCCCl)OC
InChIInChI=1S/C7H15ClO3/c1-10-7(6-9,11-2)4-3-5-8/h9H,3-6H2,1-2H3
InChIKeyULQZUVFXKPEJQL-UHFFFAOYSA-N
XLogP0.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethoxypentan-1-ol?
The IUPAC name of 5-chloro-2,2-dimethoxypentan-1-ol (CID 174742115) is 5-chloro-2,2-dimethoxypentan-1-ol.
What is the SMILES notation for 5-chloro-2,2-dimethoxypentan-1-ol?
The canonical SMILES for 5-chloro-2,2-dimethoxypentan-1-ol is COC(CO)(CCCCl)OC.
What is the InChIKey of 5-chloro-2,2-dimethoxypentan-1-ol?
The InChIKey is ULQZUVFXKPEJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO3/c1-10-7(6-9,11-2)4-3-5-8/h9H,3-6H2,1-2H3.
What are the key properties of 5-chloro-2,2-dimethoxypentan-1-ol?
5-chloro-2,2-dimethoxypentan-1-ol has a molecular weight of 182.65 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethoxypentan-1-ol is sourced from PubChem (CID 174742115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).