9-(cyclohexylmethoxy)nonane-1-thiol

C16H32OS — CID 105344448

IUPAC9-(cyclohexylmethoxy)nonane-1-thiol
SMILESSCCCCCCCCCOCC1CCCCC1
InChIInChI=1S/C16H32OS/c18-14-10-5-3-1-2-4-9-13-17-15-16-11-7-6-8-12-16/h16,18H,1-15H2
InChIKeyYQLHXNNQFAOUNN-UHFFFAOYSA-N
MW272.50 g/mol
LogP5.24
Rot. Bonds11

About 9-(cyclohexylmethoxy)nonane-1-thiol

9-(cyclohexylmethoxy)nonane-1-thiol (PubChem CID 105344448) has the molecular formula C16H32OS and a molecular weight of 272.50 g/mol. Its IUPAC name is 9-(cyclohexylmethoxy)nonane-1-thiol.

Molecular Properties

Compound Name9-(cyclohexylmethoxy)nonane-1-thiol
PubChem CID105344448
Molecular FormulaC16H32OS
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name9-(cyclohexylmethoxy)nonane-1-thiol
SMILESSCCCCCCCCCOCC1CCCCC1
InChIInChI=1S/C16H32OS/c18-14-10-5-3-1-2-4-9-13-17-15-16-11-7-6-8-12-16/h16,18H,1-15H2
InChIKeyYQLHXNNQFAOUNN-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-(cyclohexylmethoxy)-N-propylpentan-1-amine
CID 62485454
2-methoxyethoxymethylcyclooctane
CID 3020404
6-(cyclopentylmethoxy)hexane-1-sulfonamide
CID 66322939
6-(cyclohexylmethoxy)hexan-2-amine
CID 62382043
2-[2-[2-[2-(cyclohexylmethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 142615958
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
6-(cyclopentylmethoxy)-N-(2-methylpropyl)hexan-1-amine
CID 66321215
cyclohexylmethoxymethylsilane
CID 71346354

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethoxy)nonane-1-thiol?
The IUPAC name of 9-(cyclohexylmethoxy)nonane-1-thiol (CID 105344448) is 9-(cyclohexylmethoxy)nonane-1-thiol.
What is the SMILES notation for 9-(cyclohexylmethoxy)nonane-1-thiol?
The canonical SMILES for 9-(cyclohexylmethoxy)nonane-1-thiol is SCCCCCCCCCOCC1CCCCC1.
What is the InChIKey of 9-(cyclohexylmethoxy)nonane-1-thiol?
The InChIKey is YQLHXNNQFAOUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OS/c18-14-10-5-3-1-2-4-9-13-17-15-16-11-7-6-8-12-16/h16,18H,1-15H2.
What are the key properties of 9-(cyclohexylmethoxy)nonane-1-thiol?
9-(cyclohexylmethoxy)nonane-1-thiol has a molecular weight of 272.50 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethoxy)nonane-1-thiol is sourced from PubChem (CID 105344448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).