(Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one

C16H30O2 — CID 118319232

IUPAC(Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one
SMILESCCC(CC)/C(=C/C(=O)C(C(C)C)C(C)C)OC
InChIInChI=1S/C16H30O2/c1-8-13(9-2)15(18-7)10-14(17)16(11(3)4)12(5)6/h10-13,16H,8-9H2,1-7H3/b15-10-
InChIKeyGZIORUBKUSQCTM-GDNBJRDFSA-N
MW254.41 g/mol
LogP4.45
Rot. Bonds8

About (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one

(Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one (PubChem CID 118319232) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one.

Molecular Properties

Compound Name(Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one
PubChem CID118319232
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one
SMILESCCC(CC)/C(=C/C(=O)C(C(C)C)C(C)C)OC
InChIInChI=1S/C16H30O2/c1-8-13(9-2)15(18-7)10-14(17)16(11(3)4)12(5)6/h10-13,16H,8-9H2,1-7H3/b15-10-
InChIKeyGZIORUBKUSQCTM-GDNBJRDFSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one?
The IUPAC name of (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one (CID 118319232) is (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one.
What is the SMILES notation for (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one?
The canonical SMILES for (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one is CCC(CC)/C(=C/C(=O)C(C(C)C)C(C)C)OC.
What is the InChIKey of (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one?
The InChIKey is GZIORUBKUSQCTM-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H30O2/c1-8-13(9-2)15(18-7)10-14(17)16(11(3)4)12(5)6/h10-13,16H,8-9H2,1-7H3/b15-10-.
What are the key properties of (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one?
(Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one has a molecular weight of 254.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one is sourced from PubChem (CID 118319232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).