1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane

C20H38S — CID 139683380

IUPAC1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(SC2(C)CCC(C(C)C)CC2)C1
InChIInChI=1S/C20H38S/c1-14(2)17-9-11-20(6,12-10-17)21-19-13-16(5)7-8-18(19)15(3)4/h14-19H,7-13H2,1-6H3
InChIKeyMPGPAQGWSXNHBS-UHFFFAOYSA-N
MW310.59 g/mol
LogP6.79
Rot. Bonds4

About 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane

1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane (PubChem CID 139683380) has the molecular formula C20H38S and a molecular weight of 310.59 g/mol. Its IUPAC name is 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane
PubChem CID139683380
Molecular FormulaC20H38S
Molecular Weight310.59 g/mol
Exact Mass310.27
IUPAC Name1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(SC2(C)CCC(C(C)C)CC2)C1
InChIInChI=1S/C20H38S/c1-14(2)17-9-11-20(6,12-10-17)21-19-13-16(5)7-8-18(19)15(3)4/h14-19H,7-13H2,1-6H3
InChIKeyMPGPAQGWSXNHBS-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.59
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylacetic acid
CID 170995164
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethylbenzene
CID 100954560
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
CID 173286902
(4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 162070754
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane (CID 139683380) is 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(SC2(C)CCC(C(C)C)CC2)C1.
What is the InChIKey of 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane?
The InChIKey is MPGPAQGWSXNHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38S/c1-14(2)17-9-11-20(6,12-10-17)21-19-13-16(5)7-8-18(19)15(3)4/h14-19H,7-13H2,1-6H3.
What are the key properties of 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane?
1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane has a molecular weight of 310.59 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)sulfanyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 139683380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).