9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one

C17H24O — CID 102053029

IUPAC9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one
SMILESO=C1CCC2=C1CCCCCC#CCCCCC2
InChIInChI=1S/C17H24O/c18-17-14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16(15)17/h3-14H2
InChIKeyDVOANSNJWDBADK-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.56
Rot. Bonds

About 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one

9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one (PubChem CID 102053029) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one.

Molecular Properties

Compound Name9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one
PubChem CID102053029
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one
SMILESO=C1CCC2=C1CCCCCC#CCCCCC2
InChIInChI=1S/C17H24O/c18-17-14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16(15)17/h3-14H2
InChIKeyDVOANSNJWDBADK-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-one
CID 11031398
cyclododec-7-yne-1,2-dione
CID 15642696
3,4,5,6,7,8-hexahydronaphthalene-1,2-dione
CID 22709046
(513C)cyclodec-5-yn-1-one
CID 10351867
cyclooctyne;cyclopropane
CID 175311188
(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one
CID 11160668
2-methyl-2,3,5,6,7,8,9,10,11,12-decahydro-1H-benzo[10]annulen-4-one
CID 59550294
1-azacycloundec-9-yn-3-one
CID 87443606
cyclotridecane-1,2-dione
CID 67428267
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene
CID 15164275
12-hydroxycyclododec-6-yn-1-one
CID 121007216

Frequently Asked Questions

What is the IUPAC name of 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one?
The IUPAC name of 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one (CID 102053029) is 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one.
What is the SMILES notation for 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one?
The canonical SMILES for 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one is O=C1CCC2=C1CCCCCC#CCCCCC2.
What is the InChIKey of 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one?
The InChIKey is DVOANSNJWDBADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c18-17-14-13-15-11-9-7-5-3-1-2-4-6-8-10-12-16(15)17/h3-14H2.
What are the key properties of 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one?
9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one has a molecular weight of 244.38 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one is sourced from PubChem (CID 102053029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).