1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene

C24H34S — CID 123806780

IUPAC1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene
SMILESCC=CC(C)(SC1=CC=C(C2CCCCC2)CC1)C1=CC=CC(C)C1
InChIInChI=1S/C24H34S/c1-4-17-24(3,22-12-8-9-19(2)18-22)25-23-15-13-21(14-16-23)20-10-6-5-7-11-20/h4,8-9,12-13,15,17,19-20H,5-7,10-11,14,16,18H2,1-3H3
InChIKeyUVBDLTWPCSJVJR-UHFFFAOYSA-N
MW354.60 g/mol
LogP7.76
Rot. Bonds5

About 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene

1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene (PubChem CID 123806780) has the molecular formula C24H34S and a molecular weight of 354.60 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene
PubChem CID123806780
Molecular FormulaC24H34S
Molecular Weight354.60 g/mol
Exact Mass354.24
IUPAC Name1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene
SMILESCC=CC(C)(SC1=CC=C(C2CCCCC2)CC1)C1=CC=CC(C)C1
InChIInChI=1S/C24H34S/c1-4-17-24(3,22-12-8-9-19(2)18-22)25-23-15-13-21(14-16-23)20-10-6-5-7-11-20/h4,8-9,12-13,15,17,19-20H,5-7,10-11,14,16,18H2,1-3H3
InChIKeyUVBDLTWPCSJVJR-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.60
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-methylcyclohexa-1,3-diene;methane
CID 144632405
1-(2-cyclohexylethyl)-5-methylcyclohexa-1,3-diene
CID 123503605
1-cyclooctylcycloocta-1,3-diene
CID 154370011
(4-ethynylcyclohexa-1,3-dien-1-yl)cycloheptane;methane
CID 143698564
N-ethenyl-5-methylcyclohexa-1,3-dien-1-amine
CID 146385734
5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
5-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 71400816
1,5,6,7,8,8a-hexahydronaphthalen-2-ol
CID 68897886
(1E)-1-cyclohexylcyclodecene
CID 139760930
(1E)-1-cyclohexylcyclododecene
CID 139760943
2-(5-methylcyclohexa-1,3-dien-1-yl)ethynylbenzene
CID 15394481
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene?
The IUPAC name of 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene (CID 123806780) is 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene?
The canonical SMILES for 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene is CC=CC(C)(SC1=CC=C(C2CCCCC2)CC1)C1=CC=CC(C)C1.
What is the InChIKey of 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene?
The InChIKey is UVBDLTWPCSJVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34S/c1-4-17-24(3,22-12-8-9-19(2)18-22)25-23-15-13-21(14-16-23)20-10-6-5-7-11-20/h4,8-9,12-13,15,17,19-20H,5-7,10-11,14,16,18H2,1-3H3.
What are the key properties of 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene?
1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene has a molecular weight of 354.60 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene is sourced from PubChem (CID 123806780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).