2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol

C12H22OS — CID 103073679

IUPAC2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
SMILESC=C(CS)COC1CCCCC1CC
InChIInChI=1S/C12H22OS/c1-3-11-6-4-5-7-12(11)13-8-10(2)9-14/h11-12,14H,2-9H2,1H3
InChIKeyRJNHISXINCRVBZ-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.46
Rot. Bonds5

About 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol

2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol (PubChem CID 103073679) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
PubChem CID103073679
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
SMILESC=C(CS)COC1CCCCC1CC
InChIInChI=1S/C12H22OS/c1-3-11-6-4-5-7-12(11)13-8-10(2)9-14/h11-12,14H,2-9H2,1H3
InChIKeyRJNHISXINCRVBZ-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
1-ethyl-2-hydroperoxycyclohexane
CID 175085860
2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone
CID 104751674
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376
1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
3-(2-ethylcyclohexyl)oxypropanimidamide
CID 24694801
2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane
CID 66335824
2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074413
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol (CID 103073679) is 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol is C=C(CS)COC1CCCCC1CC.
What is the InChIKey of 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol?
The InChIKey is RJNHISXINCRVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-3-11-6-4-5-7-12(11)13-8-10(2)9-14/h11-12,14H,2-9H2,1H3.
What are the key properties of 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol?
2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol has a molecular weight of 214.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).