2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane

C16H34O2S — CID 141263754

IUPAC2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane
SMILESCC(C)C(C)(C)C(C)S(=O)(=O)C(C)C(C)(C)C(C)C
InChIInChI=1S/C16H34O2S/c1-11(2)15(7,8)13(5)19(17,18)14(6)16(9,10)12(3)4/h11-14H,1-10H3
InChIKeyRQKHWOBBDUCJCM-UHFFFAOYSA-N
MW290.51 g/mol
LogP4.54
Rot. Bonds6

About 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane

2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane (PubChem CID 141263754) has the molecular formula C16H34O2S and a molecular weight of 290.51 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane.

Molecular Properties

Compound Name2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane
PubChem CID141263754
Molecular FormulaC16H34O2S
Molecular Weight290.51 g/mol
Exact Mass290.23
IUPAC Name2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane
SMILESCC(C)C(C)(C)C(C)S(=O)(=O)C(C)C(C)(C)C(C)C
InChIInChI=1S/C16H34O2S/c1-11(2)15(7,8)13(5)19(17,18)14(6)16(9,10)12(3)4/h11-14H,1-10H3
InChIKeyRQKHWOBBDUCJCM-UHFFFAOYSA-N
XLogP4.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butylthiane 1,1-dioxide
CID 423309
3-t-Butylsulfolane
CID 20767965
1-Ethylsulfonyl-4,4-dimethylpentane
CID 11148231
3-(2-Ethylhexylsulfonylmethyl)heptane
CID 12810383
3,4-Ditert-butylthiolane 1,1-dioxide
CID 20625148
3,4-Ditert-butylthiane 1,1-dioxide
CID 20635137
1-Tert-butylsulfonyl-4,4-dimethylpentane
CID 20657893
4-Propan-2-ylthiane 1,1-dioxide
CID 20782691
4,4-Ditert-butylthiane 1,1-dioxide
CID 21030996
3-(2,2-Dimethylpropyl)thiolane 1,1-dioxide
CID 21056553
4,4-Di(propan-2-yl)thiane 1,1-dioxide
CID 21069099
4-Tert-butyl-2-methylthiolane 1,1-dioxide
CID 21532842

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane?
The IUPAC name of 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane (CID 141263754) is 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane.
What is the SMILES notation for 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane?
The canonical SMILES for 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane is CC(C)C(C)(C)C(C)S(=O)(=O)C(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane?
The InChIKey is RQKHWOBBDUCJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2S/c1-11(2)15(7,8)13(5)19(17,18)14(6)16(9,10)12(3)4/h11-14H,1-10H3.
What are the key properties of 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane?
2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane has a molecular weight of 290.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-(3,3,4-trimethylpentan-2-ylsulfonyl)pentane is sourced from PubChem (CID 141263754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).