tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene

C16H16 — CID 141425966

IUPACtetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene
SMILESC1=CC2=CC=C3CCCC4=C3C2(C=C1)CC4
InChIInChI=1S/C16H16/c1-2-10-16-11-9-13-5-3-4-12(15(13)16)7-8-14(16)6-1/h1-2,6-8,10H,3-5,9,11H2
InChIKeyGAOMTDRLKLGDNS-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.24
Rot. Bonds

About tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene

tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene (PubChem CID 141425966) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene.

Molecular Properties

Compound Nametetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene
PubChem CID141425966
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Nametetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene
SMILESC1=CC2=CC=C3CCCC4=C3C2(C=C1)CC4
InChIInChI=1S/C16H16/c1-2-10-16-11-9-13-5-3-4-12(15(13)16)7-8-14(16)6-1/h1-2,6-8,10H,3-5,9,11H2
InChIKeyGAOMTDRLKLGDNS-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene with MolForge

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Related Compounds

tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene
CID 154311656
tricyclo[8.5.0.01,5]pentadeca-2,4,6,8,10,12,14-heptaene
CID 154429334
8-cyclobutylidene-1,4-dioxaspiro[4.5]decane
CID 118423720
(1Z,7Z,8Z,10Z)-bicyclo[5.4.2]trideca-1(12),7(13),8,10-tetraene
CID 11968007
(6Z,8E,10Z,12E)-cyclopenta[12]annulen-3a-ol
CID 173036066
1,2,3,4,5,7-hexahydrobenzo[7]annulen-6-one
CID 121218577
(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene
CID 173104583
(13S)-13-methyltricyclo[6.4.1.04,13]trideca-1,3,7,9,11-pentaene
CID 134888363
1,2,3,4,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-5-one
CID 20565982
2-(cyclohexen-1-yl)cyclohepta-1,3,5-triene
CID 173241187
1H-benzo[i]quinoline
CID 131983586
ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene
CID 143640456

Frequently Asked Questions

What is the IUPAC name of tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene?
The IUPAC name of tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene (CID 141425966) is tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene.
What is the SMILES notation for tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene?
The canonical SMILES for tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene is C1=CC2=CC=C3CCCC4=C3C2(C=C1)CC4.
What is the InChIKey of tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene?
The InChIKey is GAOMTDRLKLGDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-10-16-11-9-13-5-3-4-12(15(13)16)7-8-14(16)6-1/h1-2,6-8,10H,3-5,9,11H2.
What are the key properties of tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene?
tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene has a molecular weight of 208.30 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[7.6.1.01,6.013,16]hexadeca-2,4,6,8,13(16)-pentaene is sourced from PubChem (CID 141425966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).