3,3-bis(prop-2-enoxymethyl)pentane

C13H24O2 — CID 20599376

IUPAC3,3-bis(prop-2-enoxymethyl)pentane
SMILESC=CCOCC(CC)(CC)COCC=C
InChIInChI=1S/C13H24O2/c1-5-9-14-11-13(7-3,8-4)12-15-10-6-2/h5-6H,1-2,7-12H2,3-4H3
InChIKeyOTOCPYWZYBTIGT-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds10

About 3,3-bis(prop-2-enoxymethyl)pentane

3,3-bis(prop-2-enoxymethyl)pentane (PubChem CID 20599376) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3,3-bis(prop-2-enoxymethyl)pentane.

Molecular Properties

Compound Name3,3-bis(prop-2-enoxymethyl)pentane
PubChem CID20599376
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3,3-bis(prop-2-enoxymethyl)pentane
SMILESC=CCOCC(CC)(CC)COCC=C
InChIInChI=1S/C13H24O2/c1-5-9-14-11-13(7-3,8-4)12-15-10-6-2/h5-6H,1-2,7-12H2,3-4H3
InChIKeyOTOCPYWZYBTIGT-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(prop-2-enoxymethyl)pentane?
The IUPAC name of 3,3-bis(prop-2-enoxymethyl)pentane (CID 20599376) is 3,3-bis(prop-2-enoxymethyl)pentane.
What is the SMILES notation for 3,3-bis(prop-2-enoxymethyl)pentane?
The canonical SMILES for 3,3-bis(prop-2-enoxymethyl)pentane is C=CCOCC(CC)(CC)COCC=C.
What is the InChIKey of 3,3-bis(prop-2-enoxymethyl)pentane?
The InChIKey is OTOCPYWZYBTIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-9-14-11-13(7-3,8-4)12-15-10-6-2/h5-6H,1-2,7-12H2,3-4H3.
What are the key properties of 3,3-bis(prop-2-enoxymethyl)pentane?
3,3-bis(prop-2-enoxymethyl)pentane has a molecular weight of 212.33 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enoxymethyl)pentane is sourced from PubChem (CID 20599376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).