5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione

C19H30O3 — CID 25155072

IUPAC5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione
SMILESC=CCCCCCCCCC(=O)C1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-15(20)18-16(21)13-19(2,3)14-17(18)22/h4,18H,1,5-14H2,2-3H3
InChIKeySDGREIPVIQWTBV-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.44
Rot. Bonds10

About 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione

5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione (PubChem CID 25155072) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione.

Molecular Properties

Compound Name5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione
PubChem CID25155072
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione
SMILESC=CCCCCCCCCC(=O)C1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-15(20)18-16(21)13-19(2,3)14-17(18)22/h4,18H,1,5-14H2,2-3H3
InChIKeySDGREIPVIQWTBV-UHFFFAOYSA-N
XLogP4.44
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione?
The IUPAC name of 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione (CID 25155072) is 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione.
What is the SMILES notation for 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione?
The canonical SMILES for 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione is C=CCCCCCCCCC(=O)C1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione?
The InChIKey is SDGREIPVIQWTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-15(20)18-16(21)13-19(2,3)14-17(18)22/h4,18H,1,5-14H2,2-3H3.
What are the key properties of 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione?
5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione has a molecular weight of 306.45 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-undec-10-enoylcyclohexane-1,3-dione is sourced from PubChem (CID 25155072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).