[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride

C15H27ClO4S — CID 65004168

IUPAC[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
SMILESCCC1CCCCC1OCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C15H27ClO4S/c1-2-13-5-3-4-6-14(13)20-11-15(12-21(16,17)18)7-9-19-10-8-15/h13-14H,2-12H2,1H3
InChIKeyFEAXFBPZEVBISK-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.34
Rot. Bonds6

About [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride

[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride (PubChem CID 65004168) has the molecular formula C15H27ClO4S and a molecular weight of 338.90 g/mol. Its IUPAC name is [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
PubChem CID65004168
Molecular FormulaC15H27ClO4S
Molecular Weight338.90 g/mol
Exact Mass338.13
IUPAC Name[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
SMILESCCC1CCCCC1OCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C15H27ClO4S/c1-2-13-5-3-4-6-14(13)20-11-15(12-21(16,17)18)7-9-19-10-8-15/h13-14H,2-12H2,1H3
InChIKeyFEAXFBPZEVBISK-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
2-[1-[(2-ethylcyclohexyl)oxymethyl]cyclopropyl]acetic acid
CID 65498472
[4-[(2-methylpropan-2-yl)oxymethyl]oxan-4-yl]methanesulfonyl chloride
CID 65004420
2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane
CID 66335824
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057
[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004170
1-[(2-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64574195
4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane
CID 65004580
[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
CID 65010236
[4-(octan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004369
[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
CID 65005951
[4-(1-methoxypropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004880

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride (CID 65004168) is [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride is CCC1CCCCC1OCC1(CS(=O)(=O)Cl)CCOCC1.
What is the InChIKey of [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride?
The InChIKey is FEAXFBPZEVBISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClO4S/c1-2-13-5-3-4-6-14(13)20-11-15(12-21(16,17)18)7-9-19-10-8-15/h13-14H,2-12H2,1H3.
What are the key properties of [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride?
[4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride has a molecular weight of 338.90 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 65004168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).