1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane

C20H37ClFe — CID 162299054

IUPAC1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane
SMILESCC1C(C)C(C)C(C=CCl)C1C.CC1CC(C)C(C)C1C.[Fe]
InChIInChI=1S/C11H19Cl.C9H18.Fe/c1-7-8(2)10(4)11(5-6-12)9(7)3;1-6-5-7(2)9(4)8(6)3;/h5-11H,1-4H3;6-9H,5H2,1-4H3;
InChIKeyJQOBKNPCBYPKBH-UHFFFAOYSA-N
MW368.81 g/mol
LogP6.85
Rot. Bonds1

About 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane

1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane (PubChem CID 162299054) has the molecular formula C20H37ClFe and a molecular weight of 368.81 g/mol. Its IUPAC name is 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane.

Molecular Properties

Compound Name1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane
PubChem CID162299054
Molecular FormulaC20H37ClFe
Molecular Weight368.81 g/mol
Exact Mass368.19
IUPAC Name1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane
SMILESCC1C(C)C(C)C(C=CCl)C1C.CC1CC(C)C(C)C1C.[Fe]
InChIInChI=1S/C11H19Cl.C9H18.Fe/c1-7-8(2)10(4)11(5-6-12)9(7)3;1-6-5-7(2)9(4)8(6)3;/h5-11H,1-4H3;6-9H,5H2,1-4H3;
InChIKeyJQOBKNPCBYPKBH-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.81
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
2-but-1-enyl-1,3-dimethylcyclobutane
CID 123646174
1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
CID 142247047
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
trans-(1R,2R)-1-chloro-2-methylcyclopropane
CID 57480697
cis-(1S,2R)-1-chloro-2-methylcyclopropane
CID 130909377
(1S,2R,3R,4R,5S)-1,2-dibromo-3,4,5-trimethylcyclohexane
CID 98513794
2,3-dimethylcyclobutane-1-carbaldehyde
CID 54074602

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane?
The IUPAC name of 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane (CID 162299054) is 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane.
What is the SMILES notation for 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane?
The canonical SMILES for 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane is CC1C(C)C(C)C(C=CCl)C1C.CC1CC(C)C(C)C1C.[Fe].
What is the InChIKey of 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane?
The InChIKey is JQOBKNPCBYPKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl.C9H18.Fe/c1-7-8(2)10(4)11(5-6-12)9(7)3;1-6-5-7(2)9(4)8(6)3;/h5-11H,1-4H3;6-9H,5H2,1-4H3;.
What are the key properties of 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane?
1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane has a molecular weight of 368.81 g/mol, XLogP of 6.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethenyl)-2,3,4,5-tetramethylcyclopentane;iron;1,2,3,4-tetramethylcyclopentane is sourced from PubChem (CID 162299054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).