2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane

C14H30S2 — CID 57232708

IUPAC2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane
SMILESCCCC(SC)C(CSC)(C(C)C)C(C)C
InChIInChI=1S/C14H30S2/c1-8-9-13(16-7)14(10-15-6,11(2)3)12(4)5/h11-13H,8-10H2,1-7H3
InChIKeySOGBUURTIAZKIG-UHFFFAOYSA-N
MW262.53 g/mol
LogP5.18
Rot. Bonds8

About 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane

2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane (PubChem CID 57232708) has the molecular formula C14H30S2 and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane
PubChem CID57232708
Molecular FormulaC14H30S2
Molecular Weight262.53 g/mol
Exact Mass262.18
IUPAC Name2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane
SMILESCCCC(SC)C(CSC)(C(C)C)C(C)C
InChIInChI=1S/C14H30S2/c1-8-9-13(16-7)14(10-15-6,11(2)3)12(4)5/h11-13H,8-10H2,1-7H3
InChIKeySOGBUURTIAZKIG-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane?
The IUPAC name of 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane (CID 57232708) is 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane?
The canonical SMILES for 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane is CCCC(SC)C(CSC)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane?
The InChIKey is SOGBUURTIAZKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30S2/c1-8-9-13(16-7)14(10-15-6,11(2)3)12(4)5/h11-13H,8-10H2,1-7H3.
What are the key properties of 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane?
2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane has a molecular weight of 262.53 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-3-(methylsulfanylmethyl)-3-propan-2-ylheptane is sourced from PubChem (CID 57232708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).