cyclohexyl propoxymethanesulfonate

C10H20O4S — CID 155066558

IUPACcyclohexyl propoxymethanesulfonate
SMILESCCCOCS(=O)(=O)OC1CCCCC1
InChIInChI=1S/C10H20O4S/c1-2-8-13-9-15(11,12)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyDYNYGBDTCBAMEB-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.05
Rot. Bonds6

About cyclohexyl propoxymethanesulfonate

cyclohexyl propoxymethanesulfonate (PubChem CID 155066558) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is cyclohexyl propoxymethanesulfonate.

Molecular Properties

Compound Namecyclohexyl propoxymethanesulfonate
PubChem CID155066558
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Namecyclohexyl propoxymethanesulfonate
SMILESCCCOCS(=O)(=O)OC1CCCCC1
InChIInChI=1S/C10H20O4S/c1-2-8-13-9-15(11,12)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyDYNYGBDTCBAMEB-UHFFFAOYSA-N
XLogP2.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

bis(cyclohexyloxysulfonylmethyl) pentane-1,5-disulfonate
CID 122600071
dicyclobutyl methanedisulfonate
CID 89440421
cyclopentyl 2,2-dimethylpropane-1-sulfonate
CID 174663479
propoxycyclooctane
CID 54078990
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
cyclohexyl 2-[di(propan-2-yl)amino]ethanesulfonate
CID 140941085
magnesium;cyclohexyl sulfamate;dihydrate
CID 20975864
cyclopropyloxysulfonylmethyl propanoate
CID 174799790
cyclohexyl 6-propoxyhexanoate
CID 134561647
azanium cyclohexyl sulfate
CID 141164557
cyclopentyl N-hexadecanoylsulfamate
CID 66559619
dicyclohexyl-bis(propoxymethyl)silane
CID 166518819

Frequently Asked Questions

What is the IUPAC name of cyclohexyl propoxymethanesulfonate?
The IUPAC name of cyclohexyl propoxymethanesulfonate (CID 155066558) is cyclohexyl propoxymethanesulfonate.
What is the SMILES notation for cyclohexyl propoxymethanesulfonate?
The canonical SMILES for cyclohexyl propoxymethanesulfonate is CCCOCS(=O)(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl propoxymethanesulfonate?
The InChIKey is DYNYGBDTCBAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-2-8-13-9-15(11,12)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of cyclohexyl propoxymethanesulfonate?
cyclohexyl propoxymethanesulfonate has a molecular weight of 236.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl propoxymethanesulfonate is sourced from PubChem (CID 155066558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).