1,3-ditert-butylcyclohexane;sulfane

C14H30S — CID 159387743

IUPAC1,3-ditert-butylcyclohexane;sulfane
SMILESCC(C)(C)C1CCCC(C(C)(C)C)C1.S
InChIInChI=1S/C14H28.H2S/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;/h11-12H,7-10H2,1-6H3;1H2
InChIKeyLLSGQUJZOMIPJO-UHFFFAOYSA-N
MW230.46 g/mol
LogP5.00
Rot. Bonds

About 1,3-ditert-butylcyclohexane;sulfane

1,3-ditert-butylcyclohexane;sulfane (PubChem CID 159387743) has the molecular formula C14H30S and a molecular weight of 230.46 g/mol. Its IUPAC name is 1,3-ditert-butylcyclohexane;sulfane.

Molecular Properties

Compound Name1,3-ditert-butylcyclohexane;sulfane
PubChem CID159387743
Molecular FormulaC14H30S
Molecular Weight230.46 g/mol
Exact Mass230.21
IUPAC Name1,3-ditert-butylcyclohexane;sulfane
SMILESCC(C)(C)C1CCCC(C(C)(C)C)C1.S
InChIInChI=1S/C14H28.H2S/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;/h11-12H,7-10H2,1-6H3;1H2
InChIKeyLLSGQUJZOMIPJO-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-ditert-butylcyclohexane;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-ditert-butylcycloheptane
CID 58579546
1,3-ditert-butylcyclopentane;ethane
CID 161179598
1,3-ditert-butylcyclobutane;1,4-ditert-butylcycloheptane;1,3-ditert-butylcyclohexane;1,4-ditert-butylcyclohexane;1,3-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 159836238
1-tert-butyl-3-chlorocyclohexane
CID 13263671
1,2-ditert-butylcyclobutane;1,2-ditert-butylcyclohexane;1,3-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161413124
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane
CID 167686199
1-tert-butyl-3-methylcyclohexane;propane
CID 177337386
tert-butylcyclopentadecane
CID 164774831
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
bis(3-tert-butylcyclohexyl)-dimethoxysilane
CID 139904122

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylcyclohexane;sulfane?
The IUPAC name of 1,3-ditert-butylcyclohexane;sulfane (CID 159387743) is 1,3-ditert-butylcyclohexane;sulfane.
What is the SMILES notation for 1,3-ditert-butylcyclohexane;sulfane?
The canonical SMILES for 1,3-ditert-butylcyclohexane;sulfane is CC(C)(C)C1CCCC(C(C)(C)C)C1.S.
What is the InChIKey of 1,3-ditert-butylcyclohexane;sulfane?
The InChIKey is LLSGQUJZOMIPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.H2S/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;/h11-12H,7-10H2,1-6H3;1H2.
What are the key properties of 1,3-ditert-butylcyclohexane;sulfane?
1,3-ditert-butylcyclohexane;sulfane has a molecular weight of 230.46 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylcyclohexane;sulfane is sourced from PubChem (CID 159387743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).