6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran

C18H30S — CID 21363207

IUPAC6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran
SMILESCC1CCC(C2CCC(C3=CCCCS3)CC2)CC1
InChIInChI=1S/C18H30S/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18/h4,14-17H,2-3,5-13H2,1H3
InChIKeyDOEWLVWGIOBQJX-UHFFFAOYSA-N
MW278.51 g/mol
LogP6.03
Rot. Bonds2

About 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran

6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran (PubChem CID 21363207) has the molecular formula C18H30S and a molecular weight of 278.51 g/mol. Its IUPAC name is 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran
PubChem CID21363207
Molecular FormulaC18H30S
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran
SMILESCC1CCC(C2CCC(C3=CCCCS3)CC2)CC1
InChIInChI=1S/C18H30S/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18/h4,14-17H,2-3,5-13H2,1H3
InChIKeyDOEWLVWGIOBQJX-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran with MolForge

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Related Compounds

1-ethylsulfanyl-4-[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]cyclohexane
CID 117948652
4,8-Dibutylidene-2-thiaadamantane
CID 6428490
5-(2-Butylsulfanylethyl)bicyclo[2.2.2]oct-2-ene
CID 20649977
5-(3-Butylsulfanylpropyl)bicyclo[2.2.2]oct-2-ene
CID 20649978
1-[4-[(2S)-3-methylbutan-2-yl]cyclohexyl]sulfanylcyclohexa-1,3-diene
CID 70648240
2-[(4-Propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene
CID 89987474
6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran
CID 123659273
4-[(4-ethenylcyclohexyl)methylsulfanyl]-1-[(Z)-5-[(4-ethenylcyclohexyl)methylsulfanyl]hept-3-en-2-yl]sulfanylcyclohexene
CID 126604796
2-Cyclohex-2-en-1-yl-5-[5-(2-ethylheptyl)-2,3-dimethylcyclohexyl]thiolane
CID 134321356
5-(2-Cyclohexylethyl)-2-(2-methylpropyl)-2,3-dihydrothiophene
CID 135233396
[(E)-5-butylsulfanylhept-5-enyl]cyclohexane
CID 137383282
8-Methyl-1,3,3a,3b,4,5,5a,6,7,8,9,9a,11,11a-tetradecahydronaphtho[1,2-g][2]benzothiole
CID 137512803

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran?
The IUPAC name of 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran (CID 21363207) is 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran is CC1CCC(C2CCC(C3=CCCCS3)CC2)CC1.
What is the InChIKey of 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran?
The InChIKey is DOEWLVWGIOBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30S/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18/h4,14-17H,2-3,5-13H2,1H3.
What are the key properties of 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran?
6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran has a molecular weight of 278.51 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 21363207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).