2,3,4,8-tetrahydro-1H-benzo[7]annulene

C11H14 — CID 123330577

IUPAC2,3,4,8-tetrahydro-1H-benzo[7]annulene
SMILESC1=CCC=C2CCCCC2=C1
InChIInChI=1S/C11H14/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-2,6-7H,3-5,8-9H2
InChIKeyVIWVHOHSUGFDEE-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.37
Rot. Bonds

About 2,3,4,8-tetrahydro-1H-benzo[7]annulene

2,3,4,8-tetrahydro-1H-benzo[7]annulene (PubChem CID 123330577) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2,3,4,8-tetrahydro-1H-benzo[7]annulene.

Molecular Properties

Compound Name2,3,4,8-tetrahydro-1H-benzo[7]annulene
PubChem CID123330577
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name2,3,4,8-tetrahydro-1H-benzo[7]annulene
SMILESC1=CCC=C2CCCCC2=C1
InChIInChI=1S/C11H14/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-2,6-7H,3-5,8-9H2
InChIKeyVIWVHOHSUGFDEE-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 12245586
1-Pent-2-enylcyclohexa-1,3-diene
CID 86022408
1-[(Z)-but-2-enyl]cyclohexa-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,8-tetrahydro-1H-benzo[7]annulene?
The IUPAC name of 2,3,4,8-tetrahydro-1H-benzo[7]annulene (CID 123330577) is 2,3,4,8-tetrahydro-1H-benzo[7]annulene.
What is the SMILES notation for 2,3,4,8-tetrahydro-1H-benzo[7]annulene?
The canonical SMILES for 2,3,4,8-tetrahydro-1H-benzo[7]annulene is C1=CCC=C2CCCCC2=C1.
What is the InChIKey of 2,3,4,8-tetrahydro-1H-benzo[7]annulene?
The InChIKey is VIWVHOHSUGFDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-2,6-7H,3-5,8-9H2.
What are the key properties of 2,3,4,8-tetrahydro-1H-benzo[7]annulene?
2,3,4,8-tetrahydro-1H-benzo[7]annulene has a molecular weight of 146.23 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8-tetrahydro-1H-benzo[7]annulene is sourced from PubChem (CID 123330577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).