3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane

C16H34O2S — CID 141263749

IUPAC3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane
SMILESCCCCC(C)C(C)S(=O)(=O)C(C)C(C)CCCC
InChIInChI=1S/C16H34O2S/c1-7-9-11-13(3)15(5)19(17,18)16(6)14(4)12-10-8-2/h13-16H,7-12H2,1-6H3
InChIKeyPAVHZRSWDIXFGV-UHFFFAOYSA-N
MW290.51 g/mol
LogP4.83
Rot. Bonds10

About 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane

3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane (PubChem CID 141263749) has the molecular formula C16H34O2S and a molecular weight of 290.51 g/mol. Its IUPAC name is 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane.

Molecular Properties

Compound Name3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane
PubChem CID141263749
Molecular FormulaC16H34O2S
Molecular Weight290.51 g/mol
Exact Mass290.23
IUPAC Name3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane
SMILESCCCCC(C)C(C)S(=O)(=O)C(C)C(C)CCCC
InChIInChI=1S/C16H34O2S/c1-7-9-11-13(3)15(5)19(17,18)16(6)14(4)12-10-8-2/h13-16H,7-12H2,1-6H3
InChIKeyPAVHZRSWDIXFGV-UHFFFAOYSA-N
XLogP4.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyloctadecane-2-sulfonic acid
CID 90874440
5,6,14,15-tetramethylnonadecane
CID 123473711
4-[1-(3-propylhexan-2-ylsulfonyl)ethyl]heptane
CID 141263756
alumane;2,3-dimethylheptane
CID 174508099
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
11-butyl-12-methyldocosane
CID 151619606
9-butyl-10-methyloctadecane
CID 174796911
sodium 5-methylpentadecan-6-yl sulfate
CID 118576675
5-fluoro-6-methyldecane
CID 123598559
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
hexane-2-sulfonyl iodide
CID 87941836

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane?
The IUPAC name of 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane (CID 141263749) is 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane.
What is the SMILES notation for 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane?
The canonical SMILES for 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane is CCCCC(C)C(C)S(=O)(=O)C(C)C(C)CCCC.
What is the InChIKey of 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane?
The InChIKey is PAVHZRSWDIXFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2S/c1-7-9-11-13(3)15(5)19(17,18)16(6)14(4)12-10-8-2/h13-16H,7-12H2,1-6H3.
What are the key properties of 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane?
3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane has a molecular weight of 290.51 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane is sourced from PubChem (CID 141263749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).