3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene

C18H24 — CID 142915490

IUPAC3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene
SMILESCC1(C)C=CC=C(C(C)(C)C2=CCCC=C2)C=C1
InChIInChI=1S/C18H24/c1-17(2)13-8-11-16(12-14-17)18(3,4)15-9-6-5-7-10-15/h6,8-14H,5,7H2,1-4H3
InChIKeyGXBYVPGFWKYKTI-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.37
Rot. Bonds2

About 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene

3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene (PubChem CID 142915490) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene
PubChem CID142915490
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene
SMILESCC1(C)C=CC=C(C(C)(C)C2=CCCC=C2)C=C1
InChIInChI=1S/C18H24/c1-17(2)13-8-11-16(12-14-17)18(3,4)15-9-6-5-7-10-15/h6,8-14H,5,7H2,1-4H3
InChIKeyGXBYVPGFWKYKTI-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene with MolForge

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Related Compounds

3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene
CID 145419102
2-tert-butylcyclohexa-1,3-diene;phosphane
CID 159538716
1,1-di(cyclohexa-1,5-dien-1-yl)ethanol
CID 171099353
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine
CID 142826255
2-[2-(disulfanyl)propan-2-yl]cyclohexa-1,3-diene
CID 144619532
2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
CID 22140571
7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 178082899
4-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,4-thiazinane 1,1-dioxide
CID 163952146
2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2-methylpropanoate
CID 144560855
4,6-dichloro-N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,3,5-triazin-2-amine
CID 163535147
2-cyclohexa-1,5-dien-1-ylbutan-2-yl acetate
CID 144561266
2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene?
The IUPAC name of 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene (CID 142915490) is 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene is CC1(C)C=CC=C(C(C)(C)C2=CCCC=C2)C=C1.
What is the InChIKey of 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene?
The InChIKey is GXBYVPGFWKYKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-17(2)13-8-11-16(12-14-17)18(3,4)15-9-6-5-7-10-15/h6,8-14H,5,7H2,1-4H3.
What are the key properties of 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene?
3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene has a molecular weight of 240.39 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 142915490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).