tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one

C17H16O — CID 114939782

IUPACtetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one
SMILESO=C1CCCCc2c1cc1c3c(cccc23)CC1
InChIInChI=1S/C17H16O/c18-16-7-2-1-5-13-14-6-3-4-11-8-9-12(17(11)14)10-15(13)16/h3-4,6,10H,1-2,5,7-9H2
InChIKeyDKPFILFINJWIRX-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.85
Rot. Bonds

About tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one

tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one (PubChem CID 114939782) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one.

Molecular Properties

Compound Nametetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one
PubChem CID114939782
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Nametetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one
SMILESO=C1CCCCc2c1cc1c3c(cccc23)CC1
InChIInChI=1S/C17H16O/c18-16-7-2-1-5-13-14-6-3-4-11-8-9-12(17(11)14)10-15(13)16/h3-4,6,10H,1-2,5,7-9H2
InChIKeyDKPFILFINJWIRX-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one with MolForge

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Related Compounds

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2,3-dihydro-1H-benzo[a]phenalene
CID 6427872
2-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 11959102
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CID 3063315
4-methyl-1,2-dihydroacenaphthylene;5-methyl-1,2-dihydroacenaphthylene;5-methyl-2,3-dihydro-1H-indene;bis(6-methyl-1,2,3,4-tetrahydronaphthalene)
CID 158441107
2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one?
The IUPAC name of tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one (CID 114939782) is tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one.
What is the SMILES notation for tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one?
The canonical SMILES for tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one is O=C1CCCCc2c1cc1c3c(cccc23)CC1.
What is the InChIKey of tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one?
The InChIKey is DKPFILFINJWIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-16-7-2-1-5-13-14-6-3-4-11-8-9-12(17(11)14)10-15(13)16/h3-4,6,10H,1-2,5,7-9H2.
What are the key properties of tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one?
tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one has a molecular weight of 236.31 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.6.1.02,8.013,17]heptadeca-1(16),2(8),9,13(17),14-pentaen-7-one is sourced from PubChem (CID 114939782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).