1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane

C11H21ClO — CID 106459535

IUPAC1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
SMILESCCCOCCC1(CCl)CCCC1
InChIInChI=1S/C11H21ClO/c1-2-8-13-9-7-11(10-12)5-3-4-6-11/h2-10H2,1H3
InChIKeyLKKVQFUBGGIEBE-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.60
Rot. Bonds6

About 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane

1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane (PubChem CID 106459535) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
PubChem CID106459535
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
SMILESCCCOCCC1(CCl)CCCC1
InChIInChI=1S/C11H21ClO/c1-2-8-13-9-7-11(10-12)5-3-4-6-11/h2-10H2,1H3
InChIKeyLKKVQFUBGGIEBE-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
1-(chloromethyl)-1-pentylcyclohexane
CID 66036692
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
3-(chloromethyl)-3-(2-ethoxyethyl)oxane
CID 66036187
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
CID 106457795
N-[[1-(2-propoxyethyl)cyclopropyl]methyl]ethanamine
CID 106457012
3-(2-butoxyethyl)-3-(chloromethyl)oxolane
CID 66033230
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 104568778

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane?
The IUPAC name of 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane (CID 106459535) is 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane.
What is the SMILES notation for 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane?
The canonical SMILES for 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane is CCCOCCC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane?
The InChIKey is LKKVQFUBGGIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-2-8-13-9-7-11(10-12)5-3-4-6-11/h2-10H2,1H3.
What are the key properties of 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane?
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane has a molecular weight of 204.74 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane is sourced from PubChem (CID 106459535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).