2,2-dimethoxypentan-3-ol

C7H16O3 — CID 57316356

IUPAC2,2-dimethoxypentan-3-ol
SMILESCCC(O)C(C)(OC)OC
InChIInChI=1S/C7H16O3/c1-5-6(8)7(2,9-3)10-4/h6,8H,5H2,1-4H3
InChIKeyUTPAAPLZIDSNEF-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.77
Rot. Bonds4

About 2,2-dimethoxypentan-3-ol

2,2-dimethoxypentan-3-ol (PubChem CID 57316356) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2,2-dimethoxypentan-3-ol.

Molecular Properties

Compound Name2,2-dimethoxypentan-3-ol
PubChem CID57316356
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2,2-dimethoxypentan-3-ol
SMILESCCC(O)C(C)(OC)OC
InChIInChI=1S/C7H16O3/c1-5-6(8)7(2,9-3)10-4/h6,8H,5H2,1-4H3
InChIKeyUTPAAPLZIDSNEF-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypentan-3-ol?
The IUPAC name of 2,2-dimethoxypentan-3-ol (CID 57316356) is 2,2-dimethoxypentan-3-ol.
What is the SMILES notation for 2,2-dimethoxypentan-3-ol?
The canonical SMILES for 2,2-dimethoxypentan-3-ol is CCC(O)C(C)(OC)OC.
What is the InChIKey of 2,2-dimethoxypentan-3-ol?
The InChIKey is UTPAAPLZIDSNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-5-6(8)7(2,9-3)10-4/h6,8H,5H2,1-4H3.
What are the key properties of 2,2-dimethoxypentan-3-ol?
2,2-dimethoxypentan-3-ol has a molecular weight of 148.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypentan-3-ol is sourced from PubChem (CID 57316356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).