7,8,9,10-tetrahydrobenzo[8]annulene

C12H14 — CID 54518791

IUPAC7,8,9,10-tetrahydrobenzo[8]annulene
SMILESC1=Cc2ccccc2CCCC1
InChIInChI=1S/C12H14/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h3,5-7,9-10H,1-2,4,8H2
InChIKeyYSNVMXOXCZUFTA-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.43
Rot. Bonds

About 7,8,9,10-tetrahydrobenzo[8]annulene

7,8,9,10-tetrahydrobenzo[8]annulene (PubChem CID 54518791) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 7,8,9,10-tetrahydrobenzo[8]annulene.

Molecular Properties

Compound Name7,8,9,10-tetrahydrobenzo[8]annulene
PubChem CID54518791
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name7,8,9,10-tetrahydrobenzo[8]annulene
SMILESC1=Cc2ccccc2CCCC1
InChIInChI=1S/C12H14/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h3,5-7,9-10H,1-2,4,8H2
InChIKeyYSNVMXOXCZUFTA-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydrobenzo[8]annulene?
The IUPAC name of 7,8,9,10-tetrahydrobenzo[8]annulene (CID 54518791) is 7,8,9,10-tetrahydrobenzo[8]annulene.
What is the SMILES notation for 7,8,9,10-tetrahydrobenzo[8]annulene?
The canonical SMILES for 7,8,9,10-tetrahydrobenzo[8]annulene is C1=Cc2ccccc2CCCC1.
What is the InChIKey of 7,8,9,10-tetrahydrobenzo[8]annulene?
The InChIKey is YSNVMXOXCZUFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h3,5-7,9-10H,1-2,4,8H2.
What are the key properties of 7,8,9,10-tetrahydrobenzo[8]annulene?
7,8,9,10-tetrahydrobenzo[8]annulene has a molecular weight of 158.24 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydrobenzo[8]annulene is sourced from PubChem (CID 54518791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).