3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane

C14H30S — CID 141282649

IUPAC3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane
SMILESCCC(C)C(CC)SC(CC)C(C)CC
InChIInChI=1S/C14H30S/c1-7-11(5)13(9-3)15-14(10-4)12(6)8-2/h11-14H,7-10H2,1-6H3
InChIKeyRUHUDICDLIPXQD-UHFFFAOYSA-N
MW230.46 g/mol
LogP5.37
Rot. Bonds8

About 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane

3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane (PubChem CID 141282649) has the molecular formula C14H30S and a molecular weight of 230.46 g/mol. Its IUPAC name is 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane.

Molecular Properties

Compound Name3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane
PubChem CID141282649
Molecular FormulaC14H30S
Molecular Weight230.46 g/mol
Exact Mass230.21
IUPAC Name3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane
SMILESCCC(C)C(CC)SC(CC)C(C)CC
InChIInChI=1S/C14H30S/c1-7-11(5)13(9-3)15-14(10-4)12(6)8-2/h11-14H,7-10H2,1-6H3
InChIKeyRUHUDICDLIPXQD-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,5-trimethyl-4-propan-2-ylsulfanylheptane
CID 166814023
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(4R)-3-ethyl-4-methylhexane
CID 59954491
CID 91437014
CID 91437014
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
ethyl-dimethyl-propan-2-yloxyazanium
CID 175365440
(4S)-2,3,4-trimethylhexane
CID 58359072
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
(2S,3R)-3-methylpentan-2-ol
CID 6993006
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
(2S,3S)-2-iodo-3-methylpentane
CID 88913110

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane?
The IUPAC name of 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane (CID 141282649) is 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane.
What is the SMILES notation for 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane?
The canonical SMILES for 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane is CCC(C)C(CC)SC(CC)C(C)CC.
What is the InChIKey of 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane?
The InChIKey is RUHUDICDLIPXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30S/c1-7-11(5)13(9-3)15-14(10-4)12(6)8-2/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane?
3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane has a molecular weight of 230.46 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylhexan-3-ylsulfanyl)hexane is sourced from PubChem (CID 141282649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).