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'}

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

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Related Compounds

cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione
CID 89460
2,5(1H,3H)-Pentalenedione, 3a-ethyltetrahydro-6a-methyl-, cis-
CID 10487621
3a,13a-Propano-1H-cyclopentacyclododecene-2,15(3H)-dione, decahydro-
CID 363123
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
Tricyclo[6.3.3.01,8]tetradecane-10,13-dione
CID 2817973
(3aR,6aR)-1-prop-2-ynyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 131137723
3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 3559420
3a-Methyltetrahydro-2,5(1H,3H)-pentalenedione
CID 544033
1,6-Pentalenedione, hexahydro-6a-(2-propynyl)-, cis-
CID 562466
4,6,6,6a-Tetramethyl-1,3,3a,4-tetrahydropentalene-2,5-dione
CID 69091201
1,3,4,6-Tetratert-butyl-1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
CID 162498796
1,4-Pentalenedione, hexahydro-3a,6a-dimethyl-, cis-
CID 6928560

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).