(1-iodo-2-methylpentyl)benzene

C12H17I — CID 174742530

IUPAC(1-iodo-2-methylpentyl)benzene
SMILESCCCC(C)C(I)c1ccccc1
InChIInChI=1S/C12H17I/c1-3-7-10(2)12(13)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3
InChIKeyKXYWPMURUWQQDN-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.60
Rot. Bonds4

About (1-iodo-2-methylpentyl)benzene

(1-iodo-2-methylpentyl)benzene (PubChem CID 174742530) has the molecular formula C12H17I and a molecular weight of 288.17 g/mol. Its IUPAC name is (1-iodo-2-methylpentyl)benzene.

Molecular Properties

Compound Name(1-iodo-2-methylpentyl)benzene
PubChem CID174742530
Molecular FormulaC12H17I
Molecular Weight288.17 g/mol
Exact Mass288.04
IUPAC Name(1-iodo-2-methylpentyl)benzene
SMILESCCCC(C)C(I)c1ccccc1
InChIInChI=1S/C12H17I/c1-3-7-10(2)12(13)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3
InChIKeyKXYWPMURUWQQDN-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.60
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

pentan-2-ylbenzene
CID 17627
5-methyl-3-phenyloctan-4-ol
CID 107894691
1-amino-4-methyl-2-phenylheptan-3-ol
CID 65186108
CID 19876403
CID 19876403
1-phenylbutylsilane
CID 173332415
4-methylheptan-2-ylbenzene
CID 21055597
3-chlorohexan-2-ylbenzene
CID 83050941
N-benzhydryl-N-pentan-2-ylpentan-2-amine
CID 175505077
2-methyl-1-(4-phenylphenyl)pentan-1-amine
CID 43094240
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745
3-methylhexan-2-yloxybenzene
CID 150585965

Frequently Asked Questions

What is the IUPAC name of (1-iodo-2-methylpentyl)benzene?
The IUPAC name of (1-iodo-2-methylpentyl)benzene (CID 174742530) is (1-iodo-2-methylpentyl)benzene.
What is the SMILES notation for (1-iodo-2-methylpentyl)benzene?
The canonical SMILES for (1-iodo-2-methylpentyl)benzene is CCCC(C)C(I)c1ccccc1.
What is the InChIKey of (1-iodo-2-methylpentyl)benzene?
The InChIKey is KXYWPMURUWQQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I/c1-3-7-10(2)12(13)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3.
What are the key properties of (1-iodo-2-methylpentyl)benzene?
(1-iodo-2-methylpentyl)benzene has a molecular weight of 288.17 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-2-methylpentyl)benzene is sourced from PubChem (CID 174742530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).