3,3-bis(ethoxymethyl)pentane

C11H24O2 — CID 22140515

IUPAC3,3-bis(ethoxymethyl)pentane
SMILESCCOCC(CC)(CC)COCC
InChIInChI=1S/C11H24O2/c1-5-11(6-2,9-12-7-3)10-13-8-4/h5-10H2,1-4H3
InChIKeyLZZZFFYXZLMKDR-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.87
Rot. Bonds8

About 3,3-bis(ethoxymethyl)pentane

3,3-bis(ethoxymethyl)pentane (PubChem CID 22140515) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3,3-bis(ethoxymethyl)pentane.

Molecular Properties

Compound Name3,3-bis(ethoxymethyl)pentane
PubChem CID22140515
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3,3-bis(ethoxymethyl)pentane
SMILESCCOCC(CC)(CC)COCC
InChIInChI=1S/C11H24O2/c1-5-11(6-2,9-12-7-3)10-13-8-4/h5-10H2,1-4H3
InChIKeyLZZZFFYXZLMKDR-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(ethoxymethyl)pentane?
The IUPAC name of 3,3-bis(ethoxymethyl)pentane (CID 22140515) is 3,3-bis(ethoxymethyl)pentane.
What is the SMILES notation for 3,3-bis(ethoxymethyl)pentane?
The canonical SMILES for 3,3-bis(ethoxymethyl)pentane is CCOCC(CC)(CC)COCC.
What is the InChIKey of 3,3-bis(ethoxymethyl)pentane?
The InChIKey is LZZZFFYXZLMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-11(6-2,9-12-7-3)10-13-8-4/h5-10H2,1-4H3.
What are the key properties of 3,3-bis(ethoxymethyl)pentane?
3,3-bis(ethoxymethyl)pentane has a molecular weight of 188.31 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(ethoxymethyl)pentane is sourced from PubChem (CID 22140515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).