3-(dimethoxymethyl)pentane

C8H18O2 — CID 15656287

IUPAC3-(dimethoxymethyl)pentane
SMILESCCC(CC)C(OC)OC
InChIInChI=1S/C8H18O2/c1-5-7(6-2)8(9-3)10-4/h7-8H,5-6H2,1-4H3
InChIKeyWCCPNLAPAMEOGA-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.04
Rot. Bonds5

About 3-(dimethoxymethyl)pentane

3-(dimethoxymethyl)pentane (PubChem CID 15656287) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-(dimethoxymethyl)pentane.

Molecular Properties

Compound Name3-(dimethoxymethyl)pentane
PubChem CID15656287
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name3-(dimethoxymethyl)pentane
SMILESCCC(CC)C(OC)OC
InChIInChI=1S/C8H18O2/c1-5-7(6-2)8(9-3)10-4/h7-8H,5-6H2,1-4H3
InChIKeyWCCPNLAPAMEOGA-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(dimethoxymethyl)pentane?
The IUPAC name of 3-(dimethoxymethyl)pentane (CID 15656287) is 3-(dimethoxymethyl)pentane.
What is the SMILES notation for 3-(dimethoxymethyl)pentane?
The canonical SMILES for 3-(dimethoxymethyl)pentane is CCC(CC)C(OC)OC.
What is the InChIKey of 3-(dimethoxymethyl)pentane?
The InChIKey is WCCPNLAPAMEOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-7(6-2)8(9-3)10-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(dimethoxymethyl)pentane?
3-(dimethoxymethyl)pentane has a molecular weight of 146.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)pentane is sourced from PubChem (CID 15656287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).