(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one

C16H26O2 — CID 24771963

IUPAC(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one
SMILESO=C1OC2CCCCCCCCCCCC/C=C\12
InChIInChI=1S/C16H26O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)18-16/h12,15H,1-11,13H2/b14-12-
InChIKeyZAGUWLXNMSTZSC-OWBHPGMISA-N
MW250.38 g/mol
LogP4.53
Rot. Bonds

About (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one

(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one (PubChem CID 24771963) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one.

Molecular Properties

Compound Name(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one
PubChem CID24771963
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one
SMILESO=C1OC2CCCCCCCCCCCC/C=C\12
InChIInChI=1S/C16H26O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)18-16/h12,15H,1-11,13H2/b14-12-
InChIKeyZAGUWLXNMSTZSC-OWBHPGMISA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

17-oxabicyclo[14.2.0]octadec-1-en-18-one
CID 91494984
(3E,5E)-17-oxabicyclo[14.2.0]octadeca-1,3,5-trien-18-one
CID 173042751
tricyclo[9.7.0.02,10]octadeca-1(18),2-diene
CID 158410257
(1S,3aZ,13aS)-1-methyl-1,2,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3-one
CID 98162399
2,3,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine-1,4-dione
CID 149399042
(6Z,17Z)-8,19-dioxatricyclo[16.2.0.07,10]icosa-6,17-diene-9,20-dione
CID 134873151
3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione
CID 13321638
(3R,7aS)-3-methyl-5,6,7,7a-tetrahydro-3H-1-benzofuran-2-one
CID 10654408
11-oxo-10-azabicyclo[7.2.0]undec-1-ene-10-sulfonyl chloride
CID 131871983
2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 172759847
(12Z)-17-bromo-21-oxatricyclo[11.8.0.014,19]henicosa-12,14(19),15,17-tetraene
CID 100990596
(1Z,3E)-13-oxabicyclo[10.1.0]trideca-1,3-diene
CID 23305469

Frequently Asked Questions

What is the IUPAC name of (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one?
The IUPAC name of (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one (CID 24771963) is (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one.
What is the SMILES notation for (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one?
The canonical SMILES for (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one is O=C1OC2CCCCCCCCCCCC/C=C\12.
What is the InChIKey of (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one?
The InChIKey is ZAGUWLXNMSTZSC-OWBHPGMISA-N. The full InChI is InChI=1S/C16H26O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)18-16/h12,15H,1-11,13H2/b14-12-.
What are the key properties of (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one?
(1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one has a molecular weight of 250.38 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-16-oxabicyclo[13.2.0]heptadec-1-en-17-one is sourced from PubChem (CID 24771963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).