5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene

C14H18 — CID 134994893

IUPAC5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene
SMILESC1#CC2CCCCC2C#CCCCC1
InChIInChI=1S/C14H18/c1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1/h13-14H,1-4,7-8,11-12H2
InChIKeyYOCMBQMIPZNPJM-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.37
Rot. Bonds

About 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene

5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene (PubChem CID 134994893) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene.

Molecular Properties

Compound Name5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene
PubChem CID134994893
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene
SMILESC1#CC2CCCCC2C#CCCCC1
InChIInChI=1S/C14H18/c1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1/h13-14H,1-4,7-8,11-12H2
InChIKeyYOCMBQMIPZNPJM-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene with MolForge

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Related Compounds

(But-3-yn-1-yl)cyclohexane
CID 15172911
1,2-Di(prop-2-ynyl)cyclohexane
CID 556396
1-Cyclohexyloct-3-yne
CID 19817989
5-Cyclohexyl-2-methyl-pentin-3
CID 20823880
(Pent-4-yn-1-yl)cyclohexane
CID 15172912
2-Butyn-1-ylcyclohexane
CID 58691513
1,2-Diethynylcyclohexane
CID 76541285
Bicyclo[9.4.0]pentadeca-2,9-diyne
CID 134978450
Bicyclo[11.4.0]heptadeca-3,10-diyne
CID 134994752
1-Hex-1-ynyl-2-methylcyclohexane
CID 134995324
Cyclopent-2-yn-1-ylcyclohexane
CID 21224637
3-Cyclohexylcyclododecyne
CID 21224638

Frequently Asked Questions

What is the IUPAC name of 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene?
The IUPAC name of 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene (CID 134994893) is 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene.
What is the SMILES notation for 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene?
The canonical SMILES for 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene is C1#CC2CCCCC2C#CCCCC1.
What is the InChIKey of 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene?
The InChIKey is YOCMBQMIPZNPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1/h13-14H,1-4,7-8,11-12H2.
What are the key properties of 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene?
5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene has a molecular weight of 186.30 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 5,6,11,12-tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene is sourced from PubChem (CID 134994893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).