3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one

C19H32O2 — CID 142109975

IUPAC3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one
SMILESC=C=C(CC(C)COCC(C)C1C(CC)C1(C)C)C(C)=O
InChIInChI=1S/C19H32O2/c1-8-16(15(5)20)10-13(3)11-21-12-14(4)18-17(9-2)19(18,6)7/h13-14,17-18H,1,9-12H2,2-7H3
InChIKeyPZPJHRFYYNVMQE-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.65
Rot. Bonds9

About 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one

3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one (PubChem CID 142109975) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one.

Molecular Properties

Compound Name3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one
PubChem CID142109975
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one
SMILESC=C=C(CC(C)COCC(C)C1C(CC)C1(C)C)C(C)=O
InChIInChI=1S/C19H32O2/c1-8-16(15(5)20)10-13(3)11-21-12-14(4)18-17(9-2)19(18,6)7/h13-14,17-18H,1,9-12H2,2-7H3
InChIKeyPZPJHRFYYNVMQE-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-Methylprop-2-enoyl)cyclopropyl]ethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123436538
7-(3-Methoxy-3-methylbutoxy)-3,6,6,7-tetramethyl-5-methylideneoctan-4-one
CID 129158243
7-[2-[(2,6-Dimethyl-5-oxohept-6-enoxy)methyl]-2-methylbutoxy]-2,6-dimethylhept-1-en-3-one
CID 157191806
7-[2-[(2,6-Dimethyl-5-oxohept-6-enoxy)methyl]-2-ethylbutoxy]-2,6-dimethylhept-1-en-3-one
CID 157191807
7-[2-Ethyl-2-[(6-methyl-5-oxohept-6-enoxy)methyl]butoxy]-2,6-dimethylhept-1-en-3-one
CID 161822857

Frequently Asked Questions

What is the IUPAC name of 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one?
The IUPAC name of 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one (CID 142109975) is 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one.
What is the SMILES notation for 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one?
The canonical SMILES for 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one is C=C=C(CC(C)COCC(C)C1C(CC)C1(C)C)C(C)=O.
What is the InChIKey of 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one?
The InChIKey is PZPJHRFYYNVMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-8-16(15(5)20)10-13(3)11-21-12-14(4)18-17(9-2)19(18,6)7/h13-14,17-18H,1,9-12H2,2-7H3.
What are the key properties of 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one?
3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one has a molecular weight of 292.46 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylidene-6-[2-(3-ethyl-2,2-dimethylcyclopropyl)propoxy]-5-methylhexan-2-one is sourced from PubChem (CID 142109975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).