1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride

C10H19ClO3S — CID 165495326

IUPAC1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride
SMILESCC(C)(C)CCOCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C10H19ClO3S/c1-9(2,3)6-7-14-8-10(4-5-10)15(11,12)13/h4-8H2,1-3H3
InChIKeyQYBCREGKMXMPDX-UHFFFAOYSA-N
MW254.78 g/mol
LogP2.54
Rot. Bonds5

About 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride

1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165495326) has the molecular formula C10H19ClO3S and a molecular weight of 254.78 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride
PubChem CID165495326
Molecular FormulaC10H19ClO3S
Molecular Weight254.78 g/mol
Exact Mass254.07
IUPAC Name1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride
SMILESCC(C)(C)CCOCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C10H19ClO3S/c1-9(2,3)6-7-14-8-10(4-5-10)15(11,12)13/h4-8H2,1-3H3
InChIKeyQYBCREGKMXMPDX-UHFFFAOYSA-N
XLogP2.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride (CID 165495326) is 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride is CC(C)(C)CCOCC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is QYBCREGKMXMPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO3S/c1-9(2,3)6-7-14-8-10(4-5-10)15(11,12)13/h4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride?
1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 254.78 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165495326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).