(7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene

C13H16 — CID 102598891

IUPAC(7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene
SMILESC1=C/CCc2ccccc2CCC/1
InChIInChI=1S/C13H16/c1-2-4-8-12-10-6-7-11-13(12)9-5-3-1/h1-2,6-7,10-11H,3-5,8-9H2/b2-1+
InChIKeyGUCGRUQFGKZUKH-OWOJBTEDSA-N
MW172.27 g/mol
LogP3.51
Rot. Bonds

About (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene

(7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene (PubChem CID 102598891) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene.

Molecular Properties

Compound Name(7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene
PubChem CID102598891
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene
SMILESC1=C/CCc2ccccc2CCC/1
InChIInChI=1S/C13H16/c1-2-4-8-12-10-6-7-11-13(12)9-5-3-1/h1-2,6-7,10-11H,3-5,8-9H2/b2-1+
InChIKeyGUCGRUQFGKZUKH-OWOJBTEDSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetrahydronaphthalene
CID 174531863
2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene
CID 144945752
[(8Z)-5,6,7,10,11,12-hexahydrobenzo[10]annulen-6-yl]methanol
CID 173213584
2,3-dihydro-1H-indene;hypobromous acid
CID 174544280
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
(8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene
CID 173213706
7,8,9,10-tetrahydrobenzo[8]annulene
CID 54518791
2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466

Frequently Asked Questions

What is the IUPAC name of (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene?
The IUPAC name of (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene (CID 102598891) is (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene.
What is the SMILES notation for (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene?
The canonical SMILES for (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene is C1=C/CCc2ccccc2CCC/1.
What is the InChIKey of (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene?
The InChIKey is GUCGRUQFGKZUKH-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H16/c1-2-4-8-12-10-6-7-11-13(12)9-5-3-1/h1-2,6-7,10-11H,3-5,8-9H2/b2-1+.
What are the key properties of (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene?
(7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene has a molecular weight of 172.27 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene is sourced from PubChem (CID 102598891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).