(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one

C14H24O3 — CID 177477275

IUPAC(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one
SMILESO=C1CCCCCCCC[C@H](O)/C=C/CCO1
InChIInChI=1S/C14H24O3/c15-13-9-5-3-1-2-4-6-11-14(16)17-12-8-7-10-13/h7,10,13,15H,1-6,8-9,11-12H2/b10-7+/t13-/m0/s1
InChIKeyTXGXVABSMGXMIT-RSPDNQDQSA-N
MW240.34 g/mol
LogP2.97
Rot. Bonds

About (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one

(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one (PubChem CID 177477275) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one.

Molecular Properties

Compound Name(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one
PubChem CID177477275
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one
SMILESO=C1CCCCCCCC[C@H](O)/C=C/CCO1
InChIInChI=1S/C14H24O3/c15-13-9-5-3-1-2-4-6-11-14(16)17-12-8-7-10-13/h7,10,13,15H,1-6,8-9,11-12H2/b10-7+/t13-/m0/s1
InChIKeyTXGXVABSMGXMIT-RSPDNQDQSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.97
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

(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one
CID 10956529
cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one
CID 175759796
1-oxacyclododec-9-en-2-one
CID 86140369
(10E)-1-oxacyclotridec-10-en-2-one
CID 14539994
(8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one
CID 135056835
7-oxabicyclo[14.1.0]heptadeca-3,14-dien-8-one
CID 77386679
(8E)-1-oxacycloundec-8-ene-2,7-dione
CID 5364708
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424

Frequently Asked Questions

What is the IUPAC name of (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one?
The IUPAC name of (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one (CID 177477275) is (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one.
What is the SMILES notation for (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one?
The canonical SMILES for (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one is O=C1CCCCCCCC[C@H](O)/C=C/CCO1.
What is the InChIKey of (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one?
The InChIKey is TXGXVABSMGXMIT-RSPDNQDQSA-N. The full InChI is InChI=1S/C14H24O3/c15-13-9-5-3-1-2-4-6-11-14(16)17-12-8-7-10-13/h7,10,13,15H,1-6,8-9,11-12H2/b10-7+/t13-/m0/s1.
What are the key properties of (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one?
(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one has a molecular weight of 240.34 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one is sourced from PubChem (CID 177477275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).