10-propan-2-yloxydec-1-en-3-one

C13H24O2 — CID 58298955

IUPAC10-propan-2-yloxydec-1-en-3-one
SMILESC=CC(=O)CCCCCCCOC(C)C
InChIInChI=1S/C13H24O2/c1-4-13(14)10-8-6-5-7-9-11-15-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyCCUXLVKASBVMSD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.51
Rot. Bonds10

About 10-propan-2-yloxydec-1-en-3-one

10-propan-2-yloxydec-1-en-3-one (PubChem CID 58298955) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 10-propan-2-yloxydec-1-en-3-one.

Molecular Properties

Compound Name10-propan-2-yloxydec-1-en-3-one
PubChem CID58298955
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name10-propan-2-yloxydec-1-en-3-one
SMILESC=CC(=O)CCCCCCCOC(C)C
InChIInChI=1S/C13H24O2/c1-4-13(14)10-8-6-5-7-9-11-15-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyCCUXLVKASBVMSD-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.51
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

Isopropyl undecylenate
CID 79578
(2R)-2-pentyl-2,3-dihydropyran-4-one
CID 12016843
(2Z)-1-oxacyclohexadec-2-en-4-one
CID 90000456
Isopropyl 11-dodecenoate
CID 17824977
Sec-butyl 9-decenoate
CID 88933092
(2S)-2-pentyl-2,3-dihydropyran-4-one
CID 10197880
2-Ethoxynon-1-en-3-one
CID 85992166
12-Hydroxytridec-1-en-3-one
CID 134987224
(E)-13-methoxytridec-2-en-4-one
CID 177854949
Ethyl 6-oxooct-7-enoate
CID 3264110
Propan-2-yl non-8-enoate
CID 10954539
10-Undecenoic acid, 9-oxo-, methyl ester
CID 11127586

Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yloxydec-1-en-3-one?
The IUPAC name of 10-propan-2-yloxydec-1-en-3-one (CID 58298955) is 10-propan-2-yloxydec-1-en-3-one.
What is the SMILES notation for 10-propan-2-yloxydec-1-en-3-one?
The canonical SMILES for 10-propan-2-yloxydec-1-en-3-one is C=CC(=O)CCCCCCCOC(C)C.
What is the InChIKey of 10-propan-2-yloxydec-1-en-3-one?
The InChIKey is CCUXLVKASBVMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-13(14)10-8-6-5-7-9-11-15-12(2)3/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 10-propan-2-yloxydec-1-en-3-one?
10-propan-2-yloxydec-1-en-3-one has a molecular weight of 212.33 g/mol, XLogP of 3.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yloxydec-1-en-3-one is sourced from PubChem (CID 58298955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).