(Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one

C15H27NO3 — CID 11323168

IUPAC(Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one
SMILESCCC(=O)/C=C(/COC1CCCCO1)N(CC)CC
InChIInChI=1S/C15H27NO3/c1-4-14(17)11-13(16(5-2)6-3)12-19-15-9-7-8-10-18-15/h11,15H,4-10,12H2,1-3H3/b13-11-
InChIKeyRYMSSXNKZYQLTE-QBFSEMIESA-N
MW269.38 g/mol
LogP2.73
Rot. Bonds8

About (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one

(Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one (PubChem CID 11323168) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one
PubChem CID11323168
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one
SMILESCCC(=O)/C=C(/COC1CCCCO1)N(CC)CC
InChIInChI=1S/C15H27NO3/c1-4-14(17)11-13(16(5-2)6-3)12-19-15-9-7-8-10-18-15/h11,15H,4-10,12H2,1-3H3/b13-11-
InChIKeyRYMSSXNKZYQLTE-QBFSEMIESA-N
XLogP2.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-[2-(oxan-2-yloxy)ethanimidoyl]urea
CID 146176700
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
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[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
2-(oxan-2-yloxy)ethyl propaneperoxoate
CID 91031112
[3-methyl-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 90823584
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
magnesium;2-ethoxyoxane;dichloride
CID 158421621
ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
CID 129386524
(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol
CID 144852096
2-[(E)-7-iodo-2-methylhept-2-enoxy]oxane
CID 10958679
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one?
The IUPAC name of (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one (CID 11323168) is (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one.
What is the SMILES notation for (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one?
The canonical SMILES for (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one is CCC(=O)/C=C(/COC1CCCCO1)N(CC)CC.
What is the InChIKey of (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one?
The InChIKey is RYMSSXNKZYQLTE-QBFSEMIESA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-14(17)11-13(16(5-2)6-3)12-19-15-9-7-8-10-18-15/h11,15H,4-10,12H2,1-3H3/b13-11-.
What are the key properties of (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one?
(Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one has a molecular weight of 269.38 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(diethylamino)-6-(oxan-2-yloxy)hex-4-en-3-one is sourced from PubChem (CID 11323168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).