1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane

C15H28O4 — CID 54513864

IUPAC1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane
SMILESCC=COC(COCC)(OC=CC)C(CC)OCC
InChIInChI=1S/C15H28O4/c1-6-11-18-15(13-16-9-4,19-12-7-2)14(8-3)17-10-5/h6-7,11-12,14H,8-10,13H2,1-5H3
InChIKeyYLAMSXVSAYETSA-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.63
Rot. Bonds11

About 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane

1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane (PubChem CID 54513864) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane.

Molecular Properties

Compound Name1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane
PubChem CID54513864
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane
SMILESCC=COC(COCC)(OC=CC)C(CC)OCC
InChIInChI=1S/C15H28O4/c1-6-11-18-15(13-16-9-4,19-12-7-2)14(8-3)17-10-5/h6-7,11-12,14H,8-10,13H2,1-5H3
InChIKeyYLAMSXVSAYETSA-UHFFFAOYSA-N
XLogP3.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane?
The IUPAC name of 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane (CID 54513864) is 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane.
What is the SMILES notation for 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane?
The canonical SMILES for 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane is CC=COC(COCC)(OC=CC)C(CC)OCC.
What is the InChIKey of 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane?
The InChIKey is YLAMSXVSAYETSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-6-11-18-15(13-16-9-4,19-12-7-2)14(8-3)17-10-5/h6-7,11-12,14H,8-10,13H2,1-5H3.
What are the key properties of 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane?
1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane has a molecular weight of 272.38 g/mol, XLogP of 3.63, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2,2-bis(prop-1-enoxy)pentane is sourced from PubChem (CID 54513864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).