(8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one

C14H24O3 — CID 135056835

IUPAC(8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one
SMILESC[C@H]1CCC[C@H](O)/C=C/CCCCCC(=O)O1
InChIInChI=1S/C14H24O3/c1-12-8-7-10-13(15)9-5-3-2-4-6-11-14(16)17-12/h5,9,12-13,15H,2-4,6-8,10-11H2,1H3/b9-5+/t12-,13+/m0/s1
InChIKeyGEIGELUFWXDUQK-ZUYHJEFZSA-N
MW240.34 g/mol
LogP2.97
Rot. Bonds

About (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one

(8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one (PubChem CID 135056835) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one.

Molecular Properties

Compound Name(8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one
PubChem CID135056835
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one
SMILESC[C@H]1CCC[C@H](O)/C=C/CCCCCC(=O)O1
InChIInChI=1S/C14H24O3/c1-12-8-7-10-13(15)9-5-3-2-4-6-11-14(16)17-12/h5,9,12-13,15H,2-4,6-8,10-11H2,1H3/b9-5+/t12-,13+/m0/s1
InChIKeyGEIGELUFWXDUQK-ZUYHJEFZSA-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'}

Analyze (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one with MolForge

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Related Compounds

(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
CID 10857106
(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one
CID 165161785
(6Z,12S)-12-methyl-1-oxacyclododec-6-en-2-one
CID 163188101
(7S,8E)-7-hydroxy-1-oxacycloheptadec-8-en-2-one
CID 10956529
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(9E,12S)-12-methyl-1-oxacyclododec-9-en-2-one
CID 122213338
(11S,12E)-11-hydroxy-1-oxacyclopentadec-12-en-2-one
CID 177477275
(6Z,9Z,14S)-14-methyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 56936049
6-methyloxan-2-one
CID 160564586
(4Z)-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 10583234

Frequently Asked Questions

What is the IUPAC name of (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one?
The IUPAC name of (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one (CID 135056835) is (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one.
What is the SMILES notation for (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one?
The canonical SMILES for (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one is C[C@H]1CCC[C@H](O)/C=C/CCCCCC(=O)O1.
What is the InChIKey of (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one?
The InChIKey is GEIGELUFWXDUQK-ZUYHJEFZSA-N. The full InChI is InChI=1S/C14H24O3/c1-12-8-7-10-13(15)9-5-3-2-4-6-11-14(16)17-12/h5,9,12-13,15H,2-4,6-8,10-11H2,1H3/b9-5+/t12-,13+/m0/s1.
What are the key properties of (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one?
(8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-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 (8E,10S,14S)-10-hydroxy-14-methyl-1-oxacyclotetradec-8-en-2-one is sourced from PubChem (CID 135056835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).