(2Z)-1-oxacyclohexadec-2-en-4-one

C15H26O2 — CID 90000456

IUPAC(2Z)-1-oxacyclohexadec-2-en-4-one
SMILESO=C1/C=C\OCCCCCCCCCCCC1
InChIInChI=1S/C15H26O2/c16-15-11-9-7-5-3-1-2-4-6-8-10-13-17-14-12-15/h12,14H,1-11,13H2/b14-12-
InChIKeyBKMKXAFNUSSYQY-OWBHPGMISA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds

About (2Z)-1-oxacyclohexadec-2-en-4-one

(2Z)-1-oxacyclohexadec-2-en-4-one (PubChem CID 90000456) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2Z)-1-oxacyclohexadec-2-en-4-one.

Molecular Properties

Compound Name(2Z)-1-oxacyclohexadec-2-en-4-one
PubChem CID90000456
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2Z)-1-oxacyclohexadec-2-en-4-one
SMILESO=C1/C=C\OCCCCCCCCCCCC1
InChIInChI=1S/C15H26O2/c16-15-11-9-7-5-3-1-2-4-6-8-10-13-17-14-12-15/h12,14H,1-11,13H2/b14-12-
InChIKeyBKMKXAFNUSSYQY-OWBHPGMISA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-pentyl-2,3-dihydropyran-4-one
CID 12016843
(2S)-2-pentyl-2,3-dihydropyran-4-one
CID 10197880
(1E)-1-methoxy-1-decen-3-one
CID 14063551
16-Methoxy-14-oxohexadec-15-enoic acid, methyl ester
CID 5367957
10-Undecenoic acid, 9-oxo-, methyl ester
CID 11127586
(2R)-2-octyl-2,3-dihydropyran-4-one
CID 15204010
8-Methoxyoct-1-en-3-one
CID 20672825
2-Decylpyran-3,4-dione
CID 21397286
2-Hexylpyran-3,4-dione
CID 21397291
2-Heptylpyran-3,4-dione
CID 21397303
2-Nonylpyran-3,4-dione
CID 21397304
7-Methoxynon-1-en-3-one
CID 21501219

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-oxacyclohexadec-2-en-4-one?
The IUPAC name of (2Z)-1-oxacyclohexadec-2-en-4-one (CID 90000456) is (2Z)-1-oxacyclohexadec-2-en-4-one.
What is the SMILES notation for (2Z)-1-oxacyclohexadec-2-en-4-one?
The canonical SMILES for (2Z)-1-oxacyclohexadec-2-en-4-one is O=C1/C=C\OCCCCCCCCCCCC1.
What is the InChIKey of (2Z)-1-oxacyclohexadec-2-en-4-one?
The InChIKey is BKMKXAFNUSSYQY-OWBHPGMISA-N. The full InChI is InChI=1S/C15H26O2/c16-15-11-9-7-5-3-1-2-4-6-8-10-13-17-14-12-15/h12,14H,1-11,13H2/b14-12-.
What are the key properties of (2Z)-1-oxacyclohexadec-2-en-4-one?
(2Z)-1-oxacyclohexadec-2-en-4-one has a molecular weight of 238.37 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-oxacyclohexadec-2-en-4-one is sourced from PubChem (CID 90000456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).