tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene

C17H20 — CID 59047597

IUPACtetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene
SMILESC1=CC2CC3CC(CC4C=CC=CC43)C2C=C1
InChIInChI=1S/C17H20/c1-3-7-16-12(5-1)9-14-11-15(16)10-13-6-2-4-8-17(13)14/h1-8,12-17H,9-11H2
InChIKeyCRBJGSUDNVZRRD-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.13
Rot. Bonds

About tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene

tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene (PubChem CID 59047597) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene.

Molecular Properties

Compound Nametetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene
PubChem CID59047597
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Nametetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene
SMILESC1=CC2CC3CC(CC4C=CC=CC43)C2C=C1
InChIInChI=1S/C17H20/c1-3-7-16-12(5-1)9-14-11-15(16)10-13-6-2-4-8-17(13)14/h1-8,12-17H,9-11H2
InChIKeyCRBJGSUDNVZRRD-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene
CID 123436446
7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140862858
2-bromo-2,3,3a,7a-tetrahydro-1H-indene
CID 91335355
1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
CID 143180898
2,3,3a,7a-tetrahydro-1H-indene
CID 12652500
1-bromo-2-ethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91609327
1-[(2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]pyrrolidine
CID 166025894
2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
CID 19746881
ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate
CID 91001047
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622

Frequently Asked Questions

What is the IUPAC name of tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene?
The IUPAC name of tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene (CID 59047597) is tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene.
What is the SMILES notation for tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene?
The canonical SMILES for tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene is C1=CC2CC3CC(CC4C=CC=CC43)C2C=C1.
What is the InChIKey of tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene?
The InChIKey is CRBJGSUDNVZRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-3-7-16-12(5-1)9-14-11-15(16)10-13-6-2-4-8-17(13)14/h1-8,12-17H,9-11H2.
What are the key properties of tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene?
tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene has a molecular weight of 224.35 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene is sourced from PubChem (CID 59047597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).