(8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol

C15H16O2 — CID 14829847

IUPAC(8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
SMILESC/C1=C\COCC#CCC2(O)CCC=C2C#C1
InChIInChI=1S/C15H16O2/c1-13-6-7-14-5-4-10-15(14,16)9-2-3-11-17-12-8-13/h5,8,16H,4,9-12H2,1H3/b13-8+
InChIKeyNEMSNTUOCJASSD-MDWZMJQESA-N
MW228.29 g/mol
LogP1.81
Rot. Bonds

About (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol

(8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol (PubChem CID 14829847) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol.

Molecular Properties

Compound Name(8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
PubChem CID14829847
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
SMILESC/C1=C\COCC#CCC2(O)CCC=C2C#C1
InChIInChI=1S/C15H16O2/c1-13-6-7-14-5-4-10-15(14,16)9-2-3-11-17-12-8-13/h5,8,16H,4,9-12H2,1H3/b13-8+
InChIKeyNEMSNTUOCJASSD-MDWZMJQESA-N
XLogP1.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol?
The IUPAC name of (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol (CID 14829847) is (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol.
What is the SMILES notation for (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol?
The canonical SMILES for (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol is C/C1=C\COCC#CCC2(O)CCC=C2C#C1.
What is the InChIKey of (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol?
The InChIKey is NEMSNTUOCJASSD-MDWZMJQESA-N. The full InChI is InChI=1S/C15H16O2/c1-13-6-7-14-5-4-10-15(14,16)9-2-3-11-17-12-8-13/h5,8,16H,4,9-12H2,1H3/b13-8+.
What are the key properties of (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol?
(8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol has a molecular weight of 228.29 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol is sourced from PubChem (CID 14829847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).