tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione

C18H24O2 — CID 10333453

IUPACtricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione
SMILESO=C1CC23CCCCC#CCCCCC2(C1)CC(=O)C3
InChIInChI=1S/C18H24O2/c19-15-11-17-9-7-5-3-1-2-4-6-8-10-18(17,13-15)14-16(20)12-17/h3-14H2
InChIKeyNGWWKMNWXCNOAG-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.82
Rot. Bonds

About tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione

tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione (PubChem CID 10333453) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione.

Molecular Properties

Compound Nametricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione
PubChem CID10333453
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Nametricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione
SMILESO=C1CC23CCCCC#CCCCCC2(C1)CC(=O)C3
InChIInChI=1S/C18H24O2/c19-15-11-17-9-7-5-3-1-2-4-6-8-10-18(17,13-15)14-16(20)12-17/h3-14H2
InChIKeyNGWWKMNWXCNOAG-UHFFFAOYSA-N
XLogP3.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
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 tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione?
The IUPAC name of tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione (CID 10333453) is tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione.
What is the SMILES notation for tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione?
The canonical SMILES for tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione is O=C1CC23CCCCC#CCCCCC2(C1)CC(=O)C3.
What is the InChIKey of tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione?
The InChIKey is NGWWKMNWXCNOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-15-11-17-9-7-5-3-1-2-4-6-8-10-18(17,13-15)14-16(20)12-17/h3-14H2.
What are the key properties of tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione?
tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione has a molecular weight of 272.39 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.3.3.01,12]octadec-6-yne-14,17-dione is sourced from PubChem (CID 10333453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).