(6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate

C15H26O3 — CID 22559416

IUPAC(6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate
SMILESCCC(CC(=O)C(C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C15H26O3/c1-6-14(18-13(5)16)10-15(17)12(4)9-7-8-11(2)3/h8,12,14H,6-7,9-10H2,1-5H3
InChIKeyDDSAOVDMOPWDHV-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.67
Rot. Bonds8

About (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate

(6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate (PubChem CID 22559416) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate.

Molecular Properties

Compound Name(6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate
PubChem CID22559416
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate
SMILESCCC(CC(=O)C(C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C15H26O3/c1-6-14(18-13(5)16)10-15(17)12(4)9-7-8-11(2)3/h8,12,14H,6-7,9-10H2,1-5H3
InChIKeyDDSAOVDMOPWDHV-UHFFFAOYSA-N
XLogP3.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate?
The IUPAC name of (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate (CID 22559416) is (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate.
What is the SMILES notation for (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate?
The canonical SMILES for (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate is CCC(CC(=O)C(C)CCC=C(C)C)OC(C)=O.
What is the InChIKey of (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate?
The InChIKey is DDSAOVDMOPWDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-14(18-13(5)16)10-15(17)12(4)9-7-8-11(2)3/h8,12,14H,6-7,9-10H2,1-5H3.
What are the key properties of (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate?
(6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate has a molecular weight of 254.37 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,10-dimethyl-5-oxoundec-9-en-3-yl) acetate is sourced from PubChem (CID 22559416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).