cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane

C8H15I — CID 147316597

IUPACcis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CC[C@H](I)C1
InChIInChI=1S/C8H15I/c1-6(2)7-3-4-8(9)5-7/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyCYZILUMJAKSSPI-SFYZADRCSA-N
MW238.11 g/mol
LogP3.25
Rot. Bonds1

About cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane

cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane (PubChem CID 147316597) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Namecis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane
PubChem CID147316597
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Namecis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CC[C@H](I)C1
InChIInChI=1S/C8H15I/c1-6(2)7-3-4-8(9)5-7/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyCYZILUMJAKSSPI-SFYZADRCSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 53.25
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

propan-2-ylcyclopropane;hydroiodide
CID 162314014
(3-propan-2-ylcyclopentyl)azanide;tungsten
CID 153472180
(2R,4R)-2-iodo-4-propan-2-ylpiperidine
CID 167503310
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 153382401
2-methyl-6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123673492
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
[(1R,3R)-3-propan-2-ylcyclopentyl]methanol
CID 59340916

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane?
The IUPAC name of cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane (CID 147316597) is cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane.
What is the SMILES notation for cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane?
The canonical SMILES for cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane is CC(C)[C@@H]1CC[C@H](I)C1.
What is the InChIKey of cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane?
The InChIKey is CYZILUMJAKSSPI-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15I/c1-6(2)7-3-4-8(9)5-7/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane?
cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane has a molecular weight of 238.11 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane is sourced from PubChem (CID 147316597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).