[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride

C12H23ClO3S — CID 65003183

IUPAC[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
SMILESCC(C)CCOCC1(CS(=O)(=O)Cl)CCCC1
InChIInChI=1S/C12H23ClO3S/c1-11(2)5-8-16-9-12(6-3-4-7-12)10-17(13,14)15/h11H,3-10H2,1-2H3
InChIKeyBAJSOWIJVUNRFU-UHFFFAOYSA-N
MW282.83 g/mol
LogP3.18
Rot. Bonds7

About [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride

[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride (PubChem CID 65003183) has the molecular formula C12H23ClO3S and a molecular weight of 282.83 g/mol. Its IUPAC name is [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
PubChem CID65003183
Molecular FormulaC12H23ClO3S
Molecular Weight282.83 g/mol
Exact Mass282.11
IUPAC Name[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride
SMILESCC(C)CCOCC1(CS(=O)(=O)Cl)CCCC1
InChIInChI=1S/C12H23ClO3S/c1-11(2)5-8-16-9-12(6-3-4-7-12)10-17(13,14)15/h11H,3-10H2,1-2H3
InChIKeyBAJSOWIJVUNRFU-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.83
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-methylbutoxymethyl)cycloheptyl]methanesulfonamide
CID 65010385
[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
CID 103285988
[1-(propan-2-yloxymethyl)cycloheptyl]methanesulfonyl chloride
CID 65010286
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-(3,3,3-trifluoropropoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82959382
[1-(4,4,4-trifluorobutoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82793786
[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 65007085
[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003231
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057
[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004170
[1-[(4-methylcyclohexyl)oxymethyl]cycloheptyl]methanesulfonyl chloride
CID 65010236
[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 65003088

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride (CID 65003183) is [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride is CC(C)CCOCC1(CS(=O)(=O)Cl)CCCC1.
What is the InChIKey of [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride?
The InChIKey is BAJSOWIJVUNRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO3S/c1-11(2)5-8-16-9-12(6-3-4-7-12)10-17(13,14)15/h11H,3-10H2,1-2H3.
What are the key properties of [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride?
[1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride has a molecular weight of 282.83 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutoxymethyl)cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 65003183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).