3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane

C11H21ClO — CID 116540323

IUPAC3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane
SMILESCCOCCCC1(C)CCC(Cl)C1
InChIInChI=1S/C11H21ClO/c1-3-13-8-4-6-11(2)7-5-10(12)9-11/h10H,3-9H2,1-2H3
InChIKeyMGIXXSIREOFVFM-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.60
Rot. Bonds5

About 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane

3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane (PubChem CID 116540323) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane.

Molecular Properties

Compound Name3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane
PubChem CID116540323
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane
SMILESCCOCCCC1(C)CCC(Cl)C1
InChIInChI=1S/C11H21ClO/c1-3-13-8-4-6-11(2)7-5-10(12)9-11/h10H,3-9H2,1-2H3
InChIKeyMGIXXSIREOFVFM-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane
CID 116540660
3-chloro-1-hept-6-enyl-1-methylcyclopentane
CID 107010557
3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane
CID 130856145
1-(3-ethoxypropyl)-3-methylcyclopentane-1-carboxylic acid
CID 65401094
1-butyl-1,3-dimethylcyclopentane
CID 123273889
1-(3-ethoxypropyl)-3-methylcyclohexan-1-amine
CID 65419842
N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine
CID 116539412
[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
CID 65393494
2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene
CID 116540374
4-(3-ethyl-1-methylcyclopentyl)butanamide
CID 91504691
N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide
CID 115881736
3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid
CID 114533764

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane?
The IUPAC name of 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane (CID 116540323) is 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane.
What is the SMILES notation for 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane?
The canonical SMILES for 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane is CCOCCCC1(C)CCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane?
The InChIKey is MGIXXSIREOFVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-3-13-8-4-6-11(2)7-5-10(12)9-11/h10H,3-9H2,1-2H3.
What are the key properties of 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane?
3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane has a molecular weight of 204.74 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane is sourced from PubChem (CID 116540323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).