ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate

C15H26O3 — CID 134833522

IUPACethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate
SMILESCC/C=C\C(CCC(=O)CC(=O)OCC)C(C)C
InChIInChI=1S/C15H26O3/c1-5-7-8-13(12(3)4)9-10-14(16)11-15(17)18-6-2/h7-8,12-13H,5-6,9-11H2,1-4H3/b8-7-
InChIKeyHFHQCBMWKCAVNB-FPLPWBNLSA-N
MW254.37 g/mol
LogP3.53
Rot. Bonds9

About ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate

ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate (PubChem CID 134833522) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate
PubChem CID134833522
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate
SMILESCC/C=C\C(CCC(=O)CC(=O)OCC)C(C)C
InChIInChI=1S/C15H26O3/c1-5-7-8-13(12(3)4)9-10-14(16)11-15(17)18-6-2/h7-8,12-13H,5-6,9-11H2,1-4H3/b8-7-
InChIKeyHFHQCBMWKCAVNB-FPLPWBNLSA-N
XLogP3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Chaulmoogric acid ethyl ester
CID 23615635
Hexyldecyl Oleate
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Octyldodecyl Oleate
CID 6436561
Isodecyl Oleate
CID 6436737
Ethylhexyl Oleate
CID 6438028
Butyloctyl Oleate
CID 71587487
Ethyl 11-(cyclopent-2-en-1-yl)undecanoate
CID 19082
Diisopropyl dilinoleate
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Octyldodecyl Erucate
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Ethyl 13-cyclopent-2-en-1-yltridecanoate
CID 2700
ethyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate
CID 40467981

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate?
The IUPAC name of ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate (CID 134833522) is ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate.
What is the SMILES notation for ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate?
The canonical SMILES for ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate is CC/C=C\C(CCC(=O)CC(=O)OCC)C(C)C.
What is the InChIKey of ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate?
The InChIKey is HFHQCBMWKCAVNB-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-7-8-13(12(3)4)9-10-14(16)11-15(17)18-6-2/h7-8,12-13H,5-6,9-11H2,1-4H3/b8-7-.
What are the key properties of ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate?
ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate has a molecular weight of 254.37 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-oxo-6-propan-2-yldec-7-enoate is sourced from PubChem (CID 134833522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).