ethyl 5-(1,3-dioxolan-2-yl)pentanoate

C10H18O4 — CID 12956803

IUPACethyl 5-(1,3-dioxolan-2-yl)pentanoate
SMILESCCOC(=O)CCCCC1OCCO1
InChIInChI=1S/C10H18O4/c1-2-12-9(11)5-3-4-6-10-13-7-8-14-10/h10H,2-8H2,1H3
InChIKeyIBVYYRDHZMFUEL-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds6

About ethyl 5-(1,3-dioxolan-2-yl)pentanoate

ethyl 5-(1,3-dioxolan-2-yl)pentanoate (PubChem CID 12956803) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 5-(1,3-dioxolan-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(1,3-dioxolan-2-yl)pentanoate
PubChem CID12956803
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 5-(1,3-dioxolan-2-yl)pentanoate
SMILESCCOC(=O)CCCCC1OCCO1
InChIInChI=1S/C10H18O4/c1-2-12-9(11)5-3-4-6-10-13-7-8-14-10/h10H,2-8H2,1H3
InChIKeyIBVYYRDHZMFUEL-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,3-dioxolan-2-yl)pentanoate?
The IUPAC name of ethyl 5-(1,3-dioxolan-2-yl)pentanoate (CID 12956803) is ethyl 5-(1,3-dioxolan-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-(1,3-dioxolan-2-yl)pentanoate?
The canonical SMILES for ethyl 5-(1,3-dioxolan-2-yl)pentanoate is CCOC(=O)CCCCC1OCCO1.
What is the InChIKey of ethyl 5-(1,3-dioxolan-2-yl)pentanoate?
The InChIKey is IBVYYRDHZMFUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-12-9(11)5-3-4-6-10-13-7-8-14-10/h10H,2-8H2,1H3.
What are the key properties of ethyl 5-(1,3-dioxolan-2-yl)pentanoate?
ethyl 5-(1,3-dioxolan-2-yl)pentanoate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,3-dioxolan-2-yl)pentanoate is sourced from PubChem (CID 12956803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).