1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride

C11H21ClO2S — CID 165495714

IUPAC1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride
SMILESCC(C)CCCCCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C11H21ClO2S/c1-10(2)6-4-3-5-7-11(8-9-11)15(12,13)14/h10H,3-9H2,1-2H3
InChIKeyLOVBBNYJQZWTQA-UHFFFAOYSA-N
MW252.81 g/mol
LogP3.69
Rot. Bonds7

About 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride

1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165495714) has the molecular formula C11H21ClO2S and a molecular weight of 252.81 g/mol. Its IUPAC name is 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride
PubChem CID165495714
Molecular FormulaC11H21ClO2S
Molecular Weight252.81 g/mol
Exact Mass252.10
IUPAC Name1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride
SMILESCC(C)CCCCCC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C11H21ClO2S/c1-10(2)6-4-3-5-7-11(8-9-11)15(12,13)14/h10H,3-9H2,1-2H3
InChIKeyLOVBBNYJQZWTQA-UHFFFAOYSA-N
XLogP3.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-methyl-11-(1-sulfocyclopropyl)undecyl]cyclopropane-1-sulfonic acid
CID 88583193
1-(6-methylheptyl)cyclopropan-1-ol
CID 118959166
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
16-methylheptadecane-1-sulfonic acid
CID 19380804
1-(5-methylhexyl)cyclopropan-1-amine
CID 83905195
1-(6-methylheptyl)-2-(10-methylundecyl)cyclohexane-1,2-dicarboxylic acid
CID 151307557
lithium 7-methyloctane-1-sulfonate
CID 122481716
N-methyl-1-(6-methylheptyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 156566670
5a,9a-bis(8-methylnonyl)-6,7,8,9-tetrahydrobenzo[e]trioxepine-1,5-dione
CID 87839945
2-chloro-9-methyldecane
CID 174557182
6-methylheptyl hydrogen sulfate;hydrate
CID 175139560

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride (CID 165495714) is 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride is CC(C)CCCCCC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is LOVBBNYJQZWTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2S/c1-10(2)6-4-3-5-7-11(8-9-11)15(12,13)14/h10H,3-9H2,1-2H3.
What are the key properties of 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride?
1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 252.81 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165495714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).