5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione

C15H24O4 — CID 139694653

IUPAC5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione
SMILESC=C1C(=O)OC(CCCCC)(CCCCC)OC1=O
InChIInChI=1S/C15H24O4/c1-4-6-8-10-15(11-9-7-5-2)18-13(16)12(3)14(17)19-15/h3-11H2,1-2H3
InChIKeyMPCGZADNWPBTQW-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.50
Rot. Bonds8

About 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione

5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione (PubChem CID 139694653) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione
PubChem CID139694653
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione
SMILESC=C1C(=O)OC(CCCCC)(CCCCC)OC1=O
InChIInChI=1S/C15H24O4/c1-4-6-8-10-15(11-9-7-5-2)18-13(16)12(3)14(17)19-15/h3-11H2,1-2H3
InChIKeyMPCGZADNWPBTQW-UHFFFAOYSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

2-methyl-5-methylidene-2-pentyl-1,3-dioxane-4,6-dione
CID 139694646
2-hexyl-2-methyl-5-methylidene-1,3-dioxane-4,6-dione;1-methyl-4-phenylbenzene
CID 144916102
2,2-diethyl-5,6-dimethylidene-1,3-dioxan-4-one
CID 123388125
(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
(3R)-3-methyl-3-pentadecyloxiran-2-one
CID 140973350
4-hydroxy-4-pentyl-1,3-dioxetan-2-one
CID 142638506
5-(2-hexyl-1,3-benzodioxol-2-yl)pentan-1-ol
CID 46211086
(5R)-3,4,5-trimethyl-5-pentylfuran-2-one
CID 102465810
2,2,5-trimethyl-5-pentyl-1,3-dioxane-4,6-dione
CID 129229049
2-butyl-2-hydroxy-1,3-dioxolane-4,5-dione
CID 139899991
3-ethyl-3-octyldioxirane
CID 89239410

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione (CID 139694653) is 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione is C=C1C(=O)OC(CCCCC)(CCCCC)OC1=O.
What is the InChIKey of 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione?
The InChIKey is MPCGZADNWPBTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-6-8-10-15(11-9-7-5-2)18-13(16)12(3)14(17)19-15/h3-11H2,1-2H3.
What are the key properties of 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione?
5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione has a molecular weight of 268.35 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,2-dipentyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 139694653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).