5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

C16H16O5 — CID 44550512

IUPAC5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc2c(c1)C(=C1C(=O)OC(C)(C)OC1=O)CC2
InChIInChI=1S/C16H16O5/c1-16(2)20-14(17)13(15(18)21-16)11-7-5-9-4-6-10(19-3)8-12(9)11/h4,6,8H,5,7H2,1-3H3
InChIKeyLXUNVYHFJUTGHQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.23
Rot. Bonds1

About 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 44550512) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID44550512
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc2c(c1)C(=C1C(=O)OC(C)(C)OC1=O)CC2
InChIInChI=1S/C16H16O5/c1-16(2)20-14(17)13(15(18)21-16)11-7-5-9-4-6-10(19-3)8-12(9)11/h4,6,8H,5,7H2,1-3H3
InChIKeyLXUNVYHFJUTGHQ-UHFFFAOYSA-N
XLogP2.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
4-cyclopropylidene-6-methoxy-2,3-dihydro-1H-naphthalene
CID 67360409
7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 42637614
6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one
CID 169409888
7-methoxy-9,10-dihydrophenanthrene-1,4-dione
CID 23251755
7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 71817023
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
2-(furan-2-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
CID 67619456
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201703

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 44550512) is 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is COc1ccc2c(c1)C(=C1C(=O)OC(C)(C)OC1=O)CC2.
What is the InChIKey of 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is LXUNVYHFJUTGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-16(2)20-14(17)13(15(18)21-16)11-7-5-9-4-6-10(19-3)8-12(9)11/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 288.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2,3-dihydroinden-1-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 44550512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).