2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane

C13H28S — CID 135274514

IUPAC2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane
SMILESCC(C)CSC(CC(C)C)CC(C)C
InChIInChI=1S/C13H28S/c1-10(2)7-13(8-11(3)4)14-9-12(5)6/h10-13H,7-9H2,1-6H3
InChIKeyIINWZFFKCRDKGW-UHFFFAOYSA-N
MW216.43 g/mol
LogP4.84
Rot. Bonds7

About 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane

2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane (PubChem CID 135274514) has the molecular formula C13H28S and a molecular weight of 216.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane
PubChem CID135274514
Molecular FormulaC13H28S
Molecular Weight216.43 g/mol
Exact Mass216.19
IUPAC Name2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane
SMILESCC(C)CSC(CC(C)C)CC(C)C
InChIInChI=1S/C13H28S/c1-10(2)7-13(8-11(3)4)14-9-12(5)6/h10-13H,7-9H2,1-6H3
InChIKeyIINWZFFKCRDKGW-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-4-propan-2-ylsulfanylheptane
CID 135274534
2,4-dimethylpentane
CID 157050020
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
2-(2-methylpropylsulfanyl)pentan-3-one
CID 60975313
bis(2-methylpropylsulfanyl)methyl-dichlorophosphane
CID 13379647
1-(2-methylpropylsulfanyl)ethylbenzene
CID 126656932
2,4-dimethylpentane;methane
CID 159476318
[(2S)-4-methylpentan-2-yl]azanium
CID 6994057
propane;2,4,6-trimethylheptane
CID 165013878
acetylene;2,4,6-trimethylheptane
CID 144531255
N-ethyl-4-(2-methylpropylsulfanyl)pentan-2-amine
CID 64703230

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane?
The IUPAC name of 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane (CID 135274514) is 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane?
The canonical SMILES for 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane is CC(C)CSC(CC(C)C)CC(C)C.
What is the InChIKey of 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane?
The InChIKey is IINWZFFKCRDKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28S/c1-10(2)7-13(8-11(3)4)14-9-12(5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane?
2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane has a molecular weight of 216.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylpropylsulfanyl)heptane is sourced from PubChem (CID 135274514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).