(4S)-4-iodooctane

C8H17I — CID 97300695

IUPAC(4S)-4-iodooctane
SMILESCCCC[C@@H](I)CCC
InChIInChI=1S/C8H17I/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyRZONQKSTULVBKR-QMMMGPOBSA-N
MW240.13 g/mol
LogP3.78
Rot. Bonds5

About (4S)-4-iodooctane

(4S)-4-iodooctane (PubChem CID 97300695) has the molecular formula C8H17I and a molecular weight of 240.13 g/mol. Its IUPAC name is (4S)-4-iodooctane.

Molecular Properties

Compound Name(4S)-4-iodooctane
PubChem CID97300695
Molecular FormulaC8H17I
Molecular Weight240.13 g/mol
Exact Mass240.04
IUPAC Name(4S)-4-iodooctane
SMILESCCCC[C@@H](I)CCC
InChIInChI=1S/C8H17I/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyRZONQKSTULVBKR-QMMMGPOBSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.78
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

4-iodo-8,12-dipropylhexadecane
CID 121245807
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
(2R)-1,2-diiodohexane
CID 118680674
4-iodo-2-methyloctane
CID 174582268
1,3-diiodononane
CID 168864693
1-chloro-5-iodopentadecane
CID 122583752
3-iodotetradecane
CID 122583608
6-iodonon-1-ynyl(trimethyl)silane
CID 121007871
3-iodohexyl(trimethyl)silane
CID 177249924
1-(4-iodoheptyl)-4-methylcyclohexane
CID 118203384
2-chlorohexanethioamide
CID 174768510

Frequently Asked Questions

What is the IUPAC name of (4S)-4-iodooctane?
The IUPAC name of (4S)-4-iodooctane (CID 97300695) is (4S)-4-iodooctane.
What is the SMILES notation for (4S)-4-iodooctane?
The canonical SMILES for (4S)-4-iodooctane is CCCC[C@@H](I)CCC.
What is the InChIKey of (4S)-4-iodooctane?
The InChIKey is RZONQKSTULVBKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17I/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (4S)-4-iodooctane?
(4S)-4-iodooctane has a molecular weight of 240.13 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-iodooctane is sourced from PubChem (CID 97300695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).