(2S,3S)-2-iodo-3-methylpentane

C6H13I — CID 88913110

IUPAC(2S,3S)-2-iodo-3-methylpentane
SMILESCC[C@H](C)[C@H](C)I
InChIInChI=1S/C6H13I/c1-4-5(2)6(3)7/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyMHIYXLPYCSGBRG-WDSKDSINSA-N
MW212.07 g/mol
LogP2.86
Rot. Bonds2

About (2S,3S)-2-iodo-3-methylpentane

(2S,3S)-2-iodo-3-methylpentane (PubChem CID 88913110) has the molecular formula C6H13I and a molecular weight of 212.07 g/mol. Its IUPAC name is (2S,3S)-2-iodo-3-methylpentane.

Molecular Properties

Compound Name(2S,3S)-2-iodo-3-methylpentane
PubChem CID88913110
Molecular FormulaC6H13I
Molecular Weight212.07 g/mol
Exact Mass212.01
IUPAC Name(2S,3S)-2-iodo-3-methylpentane
SMILESCC[C@H](C)[C@H](C)I
InChIInChI=1S/C6H13I/c1-4-5(2)6(3)7/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyMHIYXLPYCSGBRG-WDSKDSINSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.07
LogP ≤ 52.86
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
(3S)-3-iodo-1-methoxy-2-methylbutane
CID 88880583
(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
2-ethyl-3-methylpentane-1,1-diol
CID 151142103
(2S,3R)-3-methylpentan-2-ol
CID 6993006
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
(4S)-2,3,4-trimethylhexane
CID 58359072
2,3-dimethylpentane;ethane;methane
CID 143379754
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-iodo-3-methylpentane?
The IUPAC name of (2S,3S)-2-iodo-3-methylpentane (CID 88913110) is (2S,3S)-2-iodo-3-methylpentane.
What is the SMILES notation for (2S,3S)-2-iodo-3-methylpentane?
The canonical SMILES for (2S,3S)-2-iodo-3-methylpentane is CC[C@H](C)[C@H](C)I.
What is the InChIKey of (2S,3S)-2-iodo-3-methylpentane?
The InChIKey is MHIYXLPYCSGBRG-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13I/c1-4-5(2)6(3)7/h5-6H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-iodo-3-methylpentane?
(2S,3S)-2-iodo-3-methylpentane has a molecular weight of 212.07 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-iodo-3-methylpentane is sourced from PubChem (CID 88913110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).