5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one

C16H24O5 — CID 10518042

IUPAC5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
SMILESCOCOC(CC1=C(C)OC(C)(C)OC1=O)C1=CCCC1
InChIInChI=1S/C16H24O5/c1-11-13(15(17)21-16(2,3)20-11)9-14(19-10-18-4)12-7-5-6-8-12/h7,14H,5-6,8-10H2,1-4H3
InChIKeyHQNTVWHLSXQSTD-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.06
Rot. Bonds6

About 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one

5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one (PubChem CID 10518042) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
PubChem CID10518042
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one
SMILESCOCOC(CC1=C(C)OC(C)(C)OC1=O)C1=CCCC1
InChIInChI=1S/C16H24O5/c1-11-13(15(17)21-16(2,3)20-11)9-14(19-10-18-4)12-7-5-6-8-12/h7,14H,5-6,8-10H2,1-4H3
InChIKeyHQNTVWHLSXQSTD-UHFFFAOYSA-N
XLogP3.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The IUPAC name of 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one (CID 10518042) is 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The canonical SMILES for 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one is COCOC(CC1=C(C)OC(C)(C)OC1=O)C1=CCCC1.
What is the InChIKey of 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
The InChIKey is HQNTVWHLSXQSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-11-13(15(17)21-16(2,3)20-11)9-14(19-10-18-4)12-7-5-6-8-12/h7,14H,5-6,8-10H2,1-4H3.
What are the key properties of 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one?
5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one has a molecular weight of 296.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopenten-1-yl)-2-(methoxymethoxy)ethyl]-2,2,6-trimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10518042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).