ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate

C19H26O4 — CID 91232285

IUPACethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C2=CCCOCCOCCC2)cc1
InChIInChI=1S/C19H26O4/c1-2-23-19(20)15-16-7-9-18(10-8-16)17-5-3-11-21-13-14-22-12-4-6-17/h5,7-10H,2-4,6,11-15H2,1H3
InChIKeyMWAOTZLPAQPGKP-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.39
Rot. Bonds4

About ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate

ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate (PubChem CID 91232285) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate
PubChem CID91232285
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Nameethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C2=CCCOCCOCCC2)cc1
InChIInChI=1S/C19H26O4/c1-2-23-19(20)15-16-7-9-18(10-8-16)17-5-3-11-21-13-14-22-12-4-6-17/h5,7-10H,2-4,6,11-15H2,1H3
InChIKeyMWAOTZLPAQPGKP-UHFFFAOYSA-N
XLogP3.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate (CID 91232285) is ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate is CCOC(=O)Cc1ccc(C2=CCCOCCOCCC2)cc1.
What is the InChIKey of ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate?
The InChIKey is MWAOTZLPAQPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-2-23-19(20)15-16-7-9-18(10-8-16)17-5-3-11-21-13-14-22-12-4-6-17/h5,7-10H,2-4,6,11-15H2,1H3.
What are the key properties of ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate?
ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate has a molecular weight of 318.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1,4-dioxacycloundec-8-en-8-yl)phenyl]acetate is sourced from PubChem (CID 91232285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).