2,2-dimethoxypentan-1-ol

C7H16O3 — CID 23464111

IUPAC2,2-dimethoxypentan-1-ol
SMILESCCCC(CO)(OC)OC
InChIInChI=1S/C7H16O3/c1-4-5-7(6-8,9-2)10-3/h8H,4-6H2,1-3H3
InChIKeyCFTMGUUOJSPUAT-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.77
Rot. Bonds5

About 2,2-dimethoxypentan-1-ol

2,2-dimethoxypentan-1-ol (PubChem CID 23464111) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2,2-dimethoxypentan-1-ol.

Molecular Properties

Compound Name2,2-dimethoxypentan-1-ol
PubChem CID23464111
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2,2-dimethoxypentan-1-ol
SMILESCCCC(CO)(OC)OC
InChIInChI=1S/C7H16O3/c1-4-5-7(6-8,9-2)10-3/h8H,4-6H2,1-3H3
InChIKeyCFTMGUUOJSPUAT-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-1-ol?
The IUPAC name of 2,2-dimethoxypentan-1-ol (CID 23464111) is 2,2-dimethoxypentan-1-ol.
What is the SMILES notation for 2,2-dimethoxypentan-1-ol?
The canonical SMILES for 2,2-dimethoxypentan-1-ol is CCCC(CO)(OC)OC.
What is the InChIKey of 2,2-dimethoxypentan-1-ol?
The InChIKey is CFTMGUUOJSPUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-4-5-7(6-8,9-2)10-3/h8H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethoxypentan-1-ol?
2,2-dimethoxypentan-1-ol has a molecular weight of 148.20 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypentan-1-ol is sourced from PubChem (CID 23464111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).