tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene

C10H8 — CID 13484330

IUPACtricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene
SMILESC1=CC2C=CC3C=CC1=C23
InChIInChI=1S/C10H8/c1-2-8-5-6-9-4-3-7(1)10(8)9/h1-8H
InChIKeySHCGEABSMZCXEN-UHFFFAOYSA-N
MW128.17 g/mol
LogP2.22
Rot. Bonds

About tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene

tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene (PubChem CID 13484330) has the molecular formula C10H8 and a molecular weight of 128.17 g/mol. Its IUPAC name is tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene.

Molecular Properties

Compound Nametricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene
PubChem CID13484330
Molecular FormulaC10H8
Molecular Weight128.17 g/mol
Exact Mass128.06
IUPAC Nametricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene
SMILESC1=CC2C=CC3C=CC1=C23
InChIInChI=1S/C10H8/c1-2-8-5-6-9-4-3-7(1)10(8)9/h1-8H
InChIKeySHCGEABSMZCXEN-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 52.22
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

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CID 5248482
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3aH-benzo[g]indole
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CID 91364988
4-methylcyclohexa-2,5-diene-1-thione
CID 129294481
1-cycloprop-2-en-1-ylcyclobutene
CID 90747929
(8E)-8-(2,2-dimethylpropylidene)bicyclo[3.2.1]octa-3,6-dien-2-one
CID 102182546
3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene
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CID 74029554

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene?
The IUPAC name of tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene (CID 13484330) is tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene.
What is the SMILES notation for tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene?
The canonical SMILES for tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene is C1=CC2C=CC3C=CC1=C23.
What is the InChIKey of tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene?
The InChIKey is SHCGEABSMZCXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8/c1-2-8-5-6-9-4-3-7(1)10(8)9/h1-8H.
What are the key properties of tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene?
tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene has a molecular weight of 128.17 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.04,10]deca-1(10),2,5,8-tetraene is sourced from PubChem (CID 13484330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).