dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane

C25H42S — CID 91405621

IUPACdicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane
SMILESCS(C1=CC=C(C2CCCCC2)CC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H42S/c1-26(23-13-7-3-8-14-23,24-15-9-4-10-16-24)25-19-17-22(18-20-25)21-11-5-2-6-12-21/h17,19,21,23-24H,2-16,18,20H2,1H3
InChIKeyXHQKJJWMFVPOHK-UHFFFAOYSA-N
MW374.68 g/mol
LogP8.27
Rot. Bonds4

About dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane

dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane (PubChem CID 91405621) has the molecular formula C25H42S and a molecular weight of 374.68 g/mol. Its IUPAC name is dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane.

Molecular Properties

Compound Namedicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane
PubChem CID91405621
Molecular FormulaC25H42S
Molecular Weight374.68 g/mol
Exact Mass374.30
IUPAC Namedicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane
SMILESCS(C1=CC=C(C2CCCCC2)CC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H42S/c1-26(23-13-7-3-8-14-23,24-15-9-4-10-16-24)25-19-17-22(18-20-25)21-11-5-2-6-12-21/h17,19,21,23-24H,2-16,18,20H2,1H3
InChIKeyXHQKJJWMFVPOHK-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.68
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3,5-Dimethylcyclohexen-1-yl)-(3,5-dimethylcyclohex-2-en-1-yl)-(4-fluorocyclohexyl)-methyl-lambda4-sulfane
CID 167148406
3-Methyl-2-(4-methylhexyl)-5-[(2-methyl-5-propan-2-ylcyclohex-3-en-1-yl)methylsulfanyl]cyclohexa-1,3-diene
CID 71052556
4a,5a,6,6a,7,8,9,10-octahydro-4H-benzo[b]thioxanthene
CID 88786192
(9bR)-3-(3-ethyl-4-propylcyclohexa-1,3-dien-1-yl)-7-[4-[(Z)-5-methylhept-4-en-2-yl]cyclohexa-1,3-dien-1-yl]-1,2,4a,5a,6,9b-hexahydrodibenzothiophene
CID 89182153
1,5-Dicyclohexyl-3-(3,5-dicyclohexylcyclohexa-1,3-dien-1-yl)sulfanyl-6-methylcyclohexa-1,3-diene
CID 91487247
[(2Z,4E,6E)-4,6-dimethyl-7-propan-2-ylsulfanyl-3-propylocta-2,4,6-trien-2-yl]cyclohexane
CID 117627561
4-[3,5-Dimethyl-4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-3,4,5a,9a-tetrahydrodibenzothiophene
CID 118033800
(4,6-Dimethyl-7-propan-2-ylsulfanyl-3-propylocta-2,4,6-trien-2-yl)cyclohexane
CID 123456800
1-Cyclohexyl-4-[2-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)propyl]sulfanylcyclohexa-1,3-diene
CID 123760379
1-Cyclohexyl-4-[2-(5-methylcyclohexa-1,3-dien-1-yl)pent-3-en-2-ylsulfanyl]cyclohexa-1,3-diene
CID 123806780
1-[(2Z)-3-ethenyl-7,9-dimethylundeca-2,5-dien-2-yl]sulfanyl-4-methylcyclohexane
CID 135160437
(1E,2E)-1-[(5E,7E,9E,11Z)-10-cyclopropyl-5,8-diethyl-7-hexyl-6,9,11-trimethylpentadeca-5,7,9,11-tetraen-4-ylidene]-2-[(3Z,5Z)-3-ethyl-5-methyl-4-(3-methylpentylsulfanyl)hepta-3,5-dien-2-ylidene]cyclohexane
CID 139514603

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane?
The IUPAC name of dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane (CID 91405621) is dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane.
What is the SMILES notation for dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane?
The canonical SMILES for dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane is CS(C1=CC=C(C2CCCCC2)CC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane?
The InChIKey is XHQKJJWMFVPOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42S/c1-26(23-13-7-3-8-14-23,24-15-9-4-10-16-24)25-19-17-22(18-20-25)21-11-5-2-6-12-21/h17,19,21,23-24H,2-16,18,20H2,1H3.
What are the key properties of dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane?
dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane has a molecular weight of 374.68 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(4-cyclohexylcyclohexa-1,3-dien-1-yl)-methyl-λ4-sulfane is sourced from PubChem (CID 91405621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).