2-methyl-5-propan-2-yloxynon-8-en-3-one

C13H24O2 — CID 170925699

IUPAC2-methyl-5-propan-2-yloxynon-8-en-3-one
SMILESC=CCCC(CC(=O)C(C)C)OC(C)C
InChIInChI=1S/C13H24O2/c1-6-7-8-12(15-11(4)5)9-13(14)10(2)3/h6,10-12H,1,7-9H2,2-5H3
InChIKeyJEMJFZHZNWSZTD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds8

About 2-methyl-5-propan-2-yloxynon-8-en-3-one

2-methyl-5-propan-2-yloxynon-8-en-3-one (PubChem CID 170925699) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yloxynon-8-en-3-one.

Molecular Properties

Compound Name2-methyl-5-propan-2-yloxynon-8-en-3-one
PubChem CID170925699
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-5-propan-2-yloxynon-8-en-3-one
SMILESC=CCCC(CC(=O)C(C)C)OC(C)C
InChIInChI=1S/C13H24O2/c1-6-7-8-12(15-11(4)5)9-13(14)10(2)3/h6,10-12H,1,7-9H2,2-5H3
InChIKeyJEMJFZHZNWSZTD-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,6R)-2-hex-5-enyl-3,6-dimethyloxan-4-one
CID 9794332
5-(2-Methylpropyl)-2-prop-2-enyloxolan-3-one
CID 135042256
Ethyl 2-methyl-3-oxodec-9-enoate
CID 135085963
(3R,4S)-4-hydroxy-3-prop-2-enylnon-8-en-2-one
CID 58606488
3-(pent-4-en-1-yl)tetrahydro-4H-pyran-4-one
CID 66579569
3-Ethoxy-2-methyl-hept-6-en-1-one
CID 86675875
2-Methylnon-8-en-3-yl 3-oxobutanoate
CID 88247323
2-Methyl-5-(2-propan-2-yloxyethyl)oct-7-en-3-one
CID 89105354
(3R,4R)-4-ethoxy-3-(2-methylpropyl)hex-5-en-2-one
CID 89382333
2-Methoxy-5-pent-4-en-2-yldecan-4-one
CID 91276197
(3R,4S)-4-methoxy-3-methyloct-7-en-2-one
CID 117635845
2-Methyl-5-propan-2-yloxynon-8-enal
CID 139996371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yloxynon-8-en-3-one?
The IUPAC name of 2-methyl-5-propan-2-yloxynon-8-en-3-one (CID 170925699) is 2-methyl-5-propan-2-yloxynon-8-en-3-one.
What is the SMILES notation for 2-methyl-5-propan-2-yloxynon-8-en-3-one?
The canonical SMILES for 2-methyl-5-propan-2-yloxynon-8-en-3-one is C=CCCC(CC(=O)C(C)C)OC(C)C.
What is the InChIKey of 2-methyl-5-propan-2-yloxynon-8-en-3-one?
The InChIKey is JEMJFZHZNWSZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-7-8-12(15-11(4)5)9-13(14)10(2)3/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 2-methyl-5-propan-2-yloxynon-8-en-3-one?
2-methyl-5-propan-2-yloxynon-8-en-3-one has a molecular weight of 212.33 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yloxynon-8-en-3-one is sourced from PubChem (CID 170925699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).