1-(1-methylcycloundecyl)ethenethiol

C14H26S — CID 89404396

IUPAC1-(1-methylcycloundecyl)ethenethiol
SMILESC=C(S)C1(C)CCCCCCCCCC1
InChIInChI=1S/C14H26S/c1-13(15)14(2)11-9-7-5-3-4-6-8-10-12-14/h15H,1,3-12H2,2H3
InChIKeyMIDVUROOLKAYLN-UHFFFAOYSA-N
MW226.43 g/mol
LogP5.35
Rot. Bonds1

About 1-(1-methylcycloundecyl)ethenethiol

1-(1-methylcycloundecyl)ethenethiol (PubChem CID 89404396) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 1-(1-methylcycloundecyl)ethenethiol.

Molecular Properties

Compound Name1-(1-methylcycloundecyl)ethenethiol
PubChem CID89404396
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name1-(1-methylcycloundecyl)ethenethiol
SMILESC=C(S)C1(C)CCCCCCCCCC1
InChIInChI=1S/C14H26S/c1-13(15)14(2)11-9-7-5-3-4-6-8-10-12-14/h15H,1,3-12H2,2H3
InChIKeyMIDVUROOLKAYLN-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.35
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

1-(1,1-Dimethyl-2-propenyl)cyclohexane-1-thiol
CID 11344421
5-Ethenylnonane-5-thiol
CID 18982536
2-Ethyl-2-methyl-6-methylidenenonane-1-thiol
CID 89062066
2,4,6,6-Tetramethylhept-1-ene-4-thiol
CID 89225058
11,11-Dimethyl-3-methylidenecyclotridecane-1-thiol
CID 123763613
2,2-Dimethyl-5-methylideneoctane-3-thiol
CID 126513944
4-Ethenyl-2,4,6-trimethylheptane-2-thiol
CID 130348472
2,4-Dimethyl-5-methylidene-4-propyloctane-2-thiol
CID 130348573
6-Ethyl-3-methylidene-6-propylnonane-1-thiol
CID 132026463
2,6,6-Trimethyl-9-methylidenecycloundecane-1-thiol
CID 134287994
4-Ethyl-4,6,9-trimethyldec-9-ene-5-thiol
CID 138518659
3-[2-Methylidene-1-(2-methylprop-2-enyl)cyclohexyl]prop-1-ene-2-thiol
CID 138662059

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcycloundecyl)ethenethiol?
The IUPAC name of 1-(1-methylcycloundecyl)ethenethiol (CID 89404396) is 1-(1-methylcycloundecyl)ethenethiol.
What is the SMILES notation for 1-(1-methylcycloundecyl)ethenethiol?
The canonical SMILES for 1-(1-methylcycloundecyl)ethenethiol is C=C(S)C1(C)CCCCCCCCCC1.
What is the InChIKey of 1-(1-methylcycloundecyl)ethenethiol?
The InChIKey is MIDVUROOLKAYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-13(15)14(2)11-9-7-5-3-4-6-8-10-12-14/h15H,1,3-12H2,2H3.
What are the key properties of 1-(1-methylcycloundecyl)ethenethiol?
1-(1-methylcycloundecyl)ethenethiol has a molecular weight of 226.43 g/mol, XLogP of 5.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcycloundecyl)ethenethiol is sourced from PubChem (CID 89404396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).