8-propan-2-yloxyoct-1-en-3-one

C11H20O2 — CID 58298930

IUPAC8-propan-2-yloxyoct-1-en-3-one
SMILESC=CC(=O)CCCCCOC(C)C
InChIInChI=1S/C11H20O2/c1-4-11(12)8-6-5-7-9-13-10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyKQOMBURPFUSOFC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds8

About 8-propan-2-yloxyoct-1-en-3-one

8-propan-2-yloxyoct-1-en-3-one (PubChem CID 58298930) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 8-propan-2-yloxyoct-1-en-3-one.

Molecular Properties

Compound Name8-propan-2-yloxyoct-1-en-3-one
PubChem CID58298930
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name8-propan-2-yloxyoct-1-en-3-one
SMILESC=CC(=O)CCCCCOC(C)C
InChIInChI=1S/C11H20O2/c1-4-11(12)8-6-5-7-9-13-10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyKQOMBURPFUSOFC-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-oxacyclohexadec-2-en-4-one
CID 90000456
Ethyl 6-oxooct-7-enoate
CID 3264110
8-Methoxyoct-1-en-3-one
CID 20672825
7-Methoxynon-1-en-3-one
CID 21501219
7-(5-Oxohept-6-enoxy)hept-1-en-3-one
CID 57277547
Propan-2-yl 7-oxonon-8-enoate
CID 58298917
6-Oxooct-7-enyl 2-methylpropanoate
CID 58298920
Propan-2-yl 9-oxoundec-10-enoate
CID 58298922
2-Methyl-8-propan-2-yloxyoct-1-en-3-one
CID 58298931
2-Methyl-10-propan-2-yloxydec-1-en-3-one
CID 58298944
10-Propan-2-yloxydec-1-en-3-one
CID 58298955
1-(Oxolan-2-yl)but-3-en-2-one
CID 58325601

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yloxyoct-1-en-3-one?
The IUPAC name of 8-propan-2-yloxyoct-1-en-3-one (CID 58298930) is 8-propan-2-yloxyoct-1-en-3-one.
What is the SMILES notation for 8-propan-2-yloxyoct-1-en-3-one?
The canonical SMILES for 8-propan-2-yloxyoct-1-en-3-one is C=CC(=O)CCCCCOC(C)C.
What is the InChIKey of 8-propan-2-yloxyoct-1-en-3-one?
The InChIKey is KQOMBURPFUSOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(12)8-6-5-7-9-13-10(2)3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 8-propan-2-yloxyoct-1-en-3-one?
8-propan-2-yloxyoct-1-en-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yloxyoct-1-en-3-one is sourced from PubChem (CID 58298930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).