2,2,4,4-tetramethylcyclooctane-1-thiol

C12H24S — CID 89408985

IUPAC2,2,4,4-tetramethylcyclooctane-1-thiol
SMILESCC1(C)CCCCC(S)C(C)(C)C1
InChIInChI=1S/C12H24S/c1-11(2)8-6-5-7-10(13)12(3,4)9-11/h10,13H,5-9H2,1-4H3
InChIKeyVXKNIONAXQVBCH-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.30
Rot. Bonds

About 2,2,4,4-tetramethylcyclooctane-1-thiol

2,2,4,4-tetramethylcyclooctane-1-thiol (PubChem CID 89408985) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 2,2,4,4-tetramethylcyclooctane-1-thiol.

Molecular Properties

Compound Name2,2,4,4-tetramethylcyclooctane-1-thiol
PubChem CID89408985
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name2,2,4,4-tetramethylcyclooctane-1-thiol
SMILESCC1(C)CCCCC(S)C(C)(C)C1
InChIInChI=1S/C12H24S/c1-11(2)8-6-5-7-10(13)12(3,4)9-11/h10,13H,5-9H2,1-4H3
InChIKeyVXKNIONAXQVBCH-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexane-1,1,2-trithiol
CID 140532753
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1-ethylcyclohexane-1,2-dithiol
CID 87150562
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
(2R)-1,1,2,5,5-pentamethylcyclohexane
CID 147149776
1,1,5-trimethylcycloundecane
CID 161434950
5,5-dimethylcyclononan-1-ol
CID 130122952
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylcyclooctane-1-thiol?
The IUPAC name of 2,2,4,4-tetramethylcyclooctane-1-thiol (CID 89408985) is 2,2,4,4-tetramethylcyclooctane-1-thiol.
What is the SMILES notation for 2,2,4,4-tetramethylcyclooctane-1-thiol?
The canonical SMILES for 2,2,4,4-tetramethylcyclooctane-1-thiol is CC1(C)CCCCC(S)C(C)(C)C1.
What is the InChIKey of 2,2,4,4-tetramethylcyclooctane-1-thiol?
The InChIKey is VXKNIONAXQVBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-11(2)8-6-5-7-10(13)12(3,4)9-11/h10,13H,5-9H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethylcyclooctane-1-thiol?
2,2,4,4-tetramethylcyclooctane-1-thiol has a molecular weight of 200.39 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylcyclooctane-1-thiol is sourced from PubChem (CID 89408985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).