bis(prop-1-enyl) pentanedioate

C11H16O4 — CID 91189308

IUPACbis(prop-1-enyl) pentanedioate
SMILESCC=COC(=O)CCCC(=O)OC=CC
InChIInChI=1S/C11H16O4/c1-3-8-14-10(12)6-5-7-11(13)15-9-4-2/h3-4,8-9H,5-7H2,1-2H3
InChIKeyZWVASXKUDTTXPV-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.31
Rot. Bonds6

About bis(prop-1-enyl) pentanedioate

bis(prop-1-enyl) pentanedioate (PubChem CID 91189308) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is bis(prop-1-enyl) pentanedioate.

Molecular Properties

Compound Namebis(prop-1-enyl) pentanedioate
PubChem CID91189308
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Namebis(prop-1-enyl) pentanedioate
SMILESCC=COC(=O)CCCC(=O)OC=CC
InChIInChI=1S/C11H16O4/c1-3-8-14-10(12)6-5-7-11(13)15-9-4-2/h3-4,8-9H,5-7H2,1-2H3
InChIKeyZWVASXKUDTTXPV-UHFFFAOYSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-1-enyl dodecanoate
CID 87388098
[(E)-prop-1-enyl] dodecanoate
CID 140543660
prop-1-enyl (Z)-octadec-9-enoate
CID 139967723
[(E)-prop-1-enyl] 2-sulfanylacetate
CID 87590908
[(Z)-prop-1-enyl] 2-sulfanylacetate
CID 173115431
bis(but-1-enyl) hexanedioate
CID 154102434
diformyl pentanedioate
CID 57199083
prop-1-enyl 2-ethylidenehexanoate
CID 141345152
hex-1-enyl hexanoate
CID 54423513
pent-1-enyl hexanoate
CID 54364167
lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
undec-1-enyl pentanoate
CID 150139235

Frequently Asked Questions

What is the IUPAC name of bis(prop-1-enyl) pentanedioate?
The IUPAC name of bis(prop-1-enyl) pentanedioate (CID 91189308) is bis(prop-1-enyl) pentanedioate.
What is the SMILES notation for bis(prop-1-enyl) pentanedioate?
The canonical SMILES for bis(prop-1-enyl) pentanedioate is CC=COC(=O)CCCC(=O)OC=CC.
What is the InChIKey of bis(prop-1-enyl) pentanedioate?
The InChIKey is ZWVASXKUDTTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-8-14-10(12)6-5-7-11(13)15-9-4-2/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of bis(prop-1-enyl) pentanedioate?
bis(prop-1-enyl) pentanedioate has a molecular weight of 212.25 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-1-enyl) pentanedioate is sourced from PubChem (CID 91189308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).