(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one

C16H28O3 — CID 10956529

IUPAC(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one
SMILESO=C1CCCC[C@H](O)/C=C/CCCCCCCCO1
InChIInChI=1S/C16H28O3/c17-15-11-7-5-3-1-2-4-6-10-14-19-16(18)13-9-8-12-15/h7,11,15,17H,1-6,8-10,12-14H2/b11-7+/t15-/m1/s1
InChIKeyZGVGLFDSFVAPLD-XKOZXHHJSA-N
MW268.40 g/mol
LogP3.75
Rot. Bonds

About (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one

(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one (PubChem CID 10956529) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one.

Molecular Properties

Compound Name(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one
PubChem CID10956529
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one
SMILESO=C1CCCC[C@H](O)/C=C/CCCCCCCCO1
InChIInChI=1S/C16H28O3/c17-15-11-7-5-3-1-2-4-6-10-14-19-16(18)13-9-8-12-15/h7,11,15,17H,1-6,8-10,12-14H2/b11-7+/t15-/m1/s1
InChIKeyZGVGLFDSFVAPLD-XKOZXHHJSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one
CID 177477275
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclohexadec-10-en-2-one
CID 72833343
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
CID 171904779
(8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one
CID 135056835
(6Z)-1-oxacyclotetradec-6-en-2-one
CID 102124447
(6E)-1-oxacyclohexadec-6-en-2-one
CID 67592282
(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one
CID 139804341

Frequently Asked Questions

What is the IUPAC name of (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one?
The IUPAC name of (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one (CID 10956529) is (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one.
What is the SMILES notation for (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one?
The canonical SMILES for (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one is O=C1CCCC[C@H](O)/C=C/CCCCCCCCO1.
What is the InChIKey of (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one?
The InChIKey is ZGVGLFDSFVAPLD-XKOZXHHJSA-N. The full InChI is InChI=1S/C16H28O3/c17-15-11-7-5-3-1-2-4-6-10-14-19-16(18)13-9-8-12-15/h7,11,15,17H,1-6,8-10,12-14H2/b11-7+/t15-/m1/s1.
What are the key properties of (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one?
(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one has a molecular weight of 268.40 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one is sourced from PubChem (CID 10956529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).