1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane

C15H29I — CID 163594435

IUPAC1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane
SMILESCCCC(C)C1CCC(C(C)CCCI)C1
InChIInChI=1S/C15H29I/c1-4-6-12(2)14-8-9-15(11-14)13(3)7-5-10-16/h12-15H,4-11H2,1-3H3
InChIKeyGSEXLUOXMBNZMT-UHFFFAOYSA-N
MW336.30 g/mol
LogP5.69
Rot. Bonds7

About 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane

1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane (PubChem CID 163594435) has the molecular formula C15H29I and a molecular weight of 336.30 g/mol. Its IUPAC name is 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane.

Molecular Properties

Compound Name1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane
PubChem CID163594435
Molecular FormulaC15H29I
Molecular Weight336.30 g/mol
Exact Mass336.13
IUPAC Name1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane
SMILESCCCC(C)C1CCC(C(C)CCCI)C1
InChIInChI=1S/C15H29I/c1-4-6-12(2)14-8-9-15(11-14)13(3)7-5-10-16/h12-15H,4-11H2,1-3H3
InChIKeyGSEXLUOXMBNZMT-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.30
LogP ≤ 55.69
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

octan-2-ylcyclopropane
CID 18968125
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
butane;pentan-2-ylcyclohexane
CID 143682251
3-pentan-2-ylcyclobutan-1-amine
CID 130531889
ethane;pentan-2-ylcyclohexane
CID 143225886
1-(bromomethyl)-4-pentan-2-ylcyclohexane
CID 163505099
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-butyl-2-ethyl-5-pentan-2-ylcycloheptane
CID 123958612
N-ethyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888160

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane?
The IUPAC name of 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane (CID 163594435) is 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane.
What is the SMILES notation for 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane?
The canonical SMILES for 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane is CCCC(C)C1CCC(C(C)CCCI)C1.
What is the InChIKey of 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane?
The InChIKey is GSEXLUOXMBNZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29I/c1-4-6-12(2)14-8-9-15(11-14)13(3)7-5-10-16/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane?
1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane has a molecular weight of 336.30 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane is sourced from PubChem (CID 163594435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).