(4S)-3,4-dimethylhexane;methyliodanuidylmethane

C10H24I- — CID 168990410

IUPAC(4S)-3,4-dimethylhexane;methyliodanuidylmethane
SMILESCCC(C)[C@@H](C)CC.C[I-]C
InChIInChI=1S/C8H18.C2H6I/c1-5-7(3)8(4)6-2;1-3-2/h7-8H,5-6H2,1-4H3;1-2H3/q;-1/t7-,8?;/m0./s1
InChIKeyXUZMBVRNGSOGJP-JPPWUZRISA-N
MW271.21 g/mol
LogP0.41
Rot. Bonds3

About (4S)-3,4-dimethylhexane;methyliodanuidylmethane

(4S)-3,4-dimethylhexane;methyliodanuidylmethane (PubChem CID 168990410) has the molecular formula C10H24I- and a molecular weight of 271.21 g/mol. Its IUPAC name is (4S)-3,4-dimethylhexane;methyliodanuidylmethane.

Molecular Properties

Compound Name(4S)-3,4-dimethylhexane;methyliodanuidylmethane
PubChem CID168990410
Molecular FormulaC10H24I-
Molecular Weight271.21 g/mol
Exact Mass271.09
IUPAC Name(4S)-3,4-dimethylhexane;methyliodanuidylmethane
SMILESCCC(C)[C@@H](C)CC.C[I-]C
InChIInChI=1S/C8H18.C2H6I/c1-5-7(3)8(4)6-2;1-3-2/h7-8H,5-6H2,1-4H3;1-2H3/q;-1/t7-,8?;/m0./s1
InChIKeyXUZMBVRNGSOGJP-JPPWUZRISA-N
XLogP0.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
CID 91437014
CID 91437014
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3R)-3,4-dimethylheptane
CID 59819300
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(2S,3S)-1-hydroperoxy-2,3-dimethylpentane
CID 59874869
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
(4S)-2,3,4-trimethylhexane
CID 58359072
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
(2S,3R)-3-methylpentan-2-ol
CID 6993006

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dimethylhexane;methyliodanuidylmethane?
The IUPAC name of (4S)-3,4-dimethylhexane;methyliodanuidylmethane (CID 168990410) is (4S)-3,4-dimethylhexane;methyliodanuidylmethane.
What is the SMILES notation for (4S)-3,4-dimethylhexane;methyliodanuidylmethane?
The canonical SMILES for (4S)-3,4-dimethylhexane;methyliodanuidylmethane is CCC(C)[C@@H](C)CC.C[I-]C.
What is the InChIKey of (4S)-3,4-dimethylhexane;methyliodanuidylmethane?
The InChIKey is XUZMBVRNGSOGJP-JPPWUZRISA-N. The full InChI is InChI=1S/C8H18.C2H6I/c1-5-7(3)8(4)6-2;1-3-2/h7-8H,5-6H2,1-4H3;1-2H3/q;-1/t7-,8?;/m0./s1.
What are the key properties of (4S)-3,4-dimethylhexane;methyliodanuidylmethane?
(4S)-3,4-dimethylhexane;methyliodanuidylmethane has a molecular weight of 271.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dimethylhexane;methyliodanuidylmethane is sourced from PubChem (CID 168990410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).