(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane

C10H19I — CID 58644913

IUPAC(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane
SMILESCC[C@H]1[C@H](CI)[C@H](C)C[C@@H]1C
InChIInChI=1S/C10H19I/c1-4-9-7(2)5-8(3)10(9)6-11/h7-10H,4-6H2,1-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyFMBSKXXNDWQHQK-SGIHWFKDSA-N
MW266.17 g/mol
LogP3.74
Rot. Bonds2

About (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane

(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane (PubChem CID 58644913) has the molecular formula C10H19I and a molecular weight of 266.17 g/mol. Its IUPAC name is (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane.

Molecular Properties

Compound Name(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane
PubChem CID58644913
Molecular FormulaC10H19I
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane
SMILESCC[C@H]1[C@H](CI)[C@H](C)C[C@@H]1C
InChIInChI=1S/C10H19I/c1-4-9-7(2)5-8(3)10(9)6-11/h7-10H,4-6H2,1-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyFMBSKXXNDWQHQK-SGIHWFKDSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 53.74
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

CID 153363822
CID 153363822
5-chloro-2-ethyl-1,3-dimethylcyclohexane
CID 163493383
1,3-diethyl-4-methyl-2-propylcyclopentane
CID 143310394
1-ethyl-3-(iodomethyl)cyclobutane
CID 89033986
(1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 71133313
1,2-dimethylcyclopropane;propane
CID 143337919
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
3-ethyl-4,6-dimethylpiperidin-2-ol
CID 123221816
1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162292687
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
4-ethyl-3,5-dimethyloxane
CID 91432465

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane?
The IUPAC name of (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane (CID 58644913) is (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane.
What is the SMILES notation for (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane?
The canonical SMILES for (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane is CC[C@H]1[C@H](CI)[C@H](C)C[C@@H]1C.
What is the InChIKey of (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane?
The InChIKey is FMBSKXXNDWQHQK-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H19I/c1-4-9-7(2)5-8(3)10(9)6-11/h7-10H,4-6H2,1-3H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane?
(1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane has a molecular weight of 266.17 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4R)-2-ethyl-3-(iodomethyl)-1,4-dimethylcyclopentane is sourced from PubChem (CID 58644913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).