3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene

C15H18 — CID 145419102

IUPAC3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene
SMILESCC1(C)C=CC=C(C2=CCCC=C2)C=C1
InChIInChI=1S/C15H18/c1-15(2)11-6-9-14(10-12-15)13-7-4-3-5-8-13/h4,6-12H,3,5H2,1-2H3
InChIKeyXSEOLQVZHMDLBF-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.34
Rot. Bonds1

About 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene

3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene (PubChem CID 145419102) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene
PubChem CID145419102
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene
SMILESCC1(C)C=CC=C(C2=CCCC=C2)C=C1
InChIInChI=1S/C15H18/c1-15(2)11-6-9-14(10-12-15)13-7-4-3-5-8-13/h4,6-12H,3,5H2,1-2H3
InChIKeyXSEOLQVZHMDLBF-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene
CID 142915490
3-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1λ3-iodacyclohexa-1,3,5-triene
CID 163543681
1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene
CID 144703387
6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine
CID 144703418
7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 178082899
15-cyclohexa-1,5-dien-1-yl-9,9-dimethyltricyclo[8.5.0.02,8]pentadeca-1(10),2,4,7,11,14-hexaene;ethane
CID 167484288
4-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,4-thiazinane 1,1-dioxide
CID 163952146
4,6-dichloro-N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazin-2-amine
CID 163535147
6-methyl-3,4-dihydrobenzo[7]annulene-6-sulfonic acid
CID 123340788
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine
CID 138481846
2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol
CID 89328023
(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanesulfinic acid
CID 123541788

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene (CID 145419102) is 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene is CC1(C)C=CC=C(C2=CCCC=C2)C=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene?
The InChIKey is XSEOLQVZHMDLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-15(2)11-6-9-14(10-12-15)13-7-4-3-5-8-13/h4,6-12H,3,5H2,1-2H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene?
3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene has a molecular weight of 198.31 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 145419102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).