4-iodo-2-methyloctane

C9H19I — CID 174582268

IUPAC4-iodo-2-methyloctane
SMILESCCCCC(I)CC(C)C
InChIInChI=1S/C9H19I/c1-4-5-6-9(10)7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyQFRCZDCZFIHPIM-UHFFFAOYSA-N
MW254.15 g/mol
LogP4.03
Rot. Bonds5

About 4-iodo-2-methyloctane

4-iodo-2-methyloctane (PubChem CID 174582268) has the molecular formula C9H19I and a molecular weight of 254.15 g/mol. Its IUPAC name is 4-iodo-2-methyloctane.

Molecular Properties

Compound Name4-iodo-2-methyloctane
PubChem CID174582268
Molecular FormulaC9H19I
Molecular Weight254.15 g/mol
Exact Mass254.05
IUPAC Name4-iodo-2-methyloctane
SMILESCCCCC(I)CC(C)C
InChIInChI=1S/C9H19I/c1-4-5-6-9(10)7-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyQFRCZDCZFIHPIM-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 54.03
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

(4S)-4-iodooctane
CID 97300695
(2R)-1,2-diiodohexane
CID 118680674
2,4-dimethylpentane;pentane
CID 161023213
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
2,4-dimethyloctane;ethene
CID 156719555
tetrakis(difluoromethane);1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(fluoromethyl)-4-iodooctane
CID 160677327
2-methylhexane;hydrochloride
CID 172797630
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methyl-5-(2-methylpropyl)nonane
CID 57492288
4-bromo-2-methyloctane;hydrobromide
CID 175067388

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyloctane?
The IUPAC name of 4-iodo-2-methyloctane (CID 174582268) is 4-iodo-2-methyloctane.
What is the SMILES notation for 4-iodo-2-methyloctane?
The canonical SMILES for 4-iodo-2-methyloctane is CCCCC(I)CC(C)C.
What is the InChIKey of 4-iodo-2-methyloctane?
The InChIKey is QFRCZDCZFIHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19I/c1-4-5-6-9(10)7-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-iodo-2-methyloctane?
4-iodo-2-methyloctane has a molecular weight of 254.15 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyloctane is sourced from PubChem (CID 174582268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).