(3-chloro-2,2-diethylcyclobutyl)oxycyclopentane

C13H23ClO — CID 66343398

IUPAC(3-chloro-2,2-diethylcyclobutyl)oxycyclopentane
SMILESCCC1(CC)C(Cl)CC1OC1CCCC1
InChIInChI=1S/C13H23ClO/c1-3-13(4-2)11(14)9-12(13)15-10-7-5-6-8-10/h10-12H,3-9H2,1-2H3
InChIKeyNMRNDMJWUGHPIM-UHFFFAOYSA-N
MW230.78 g/mol
LogP4.13
Rot. Bonds4

About (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane

(3-chloro-2,2-diethylcyclobutyl)oxycyclopentane (PubChem CID 66343398) has the molecular formula C13H23ClO and a molecular weight of 230.78 g/mol. Its IUPAC name is (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane.

Molecular Properties

Compound Name(3-chloro-2,2-diethylcyclobutyl)oxycyclopentane
PubChem CID66343398
Molecular FormulaC13H23ClO
Molecular Weight230.78 g/mol
Exact Mass230.14
IUPAC Name(3-chloro-2,2-diethylcyclobutyl)oxycyclopentane
SMILESCCC1(CC)C(Cl)CC1OC1CCCC1
InChIInChI=1S/C13H23ClO/c1-3-13(4-2)11(14)9-12(13)15-10-7-5-6-8-10/h10-12H,3-9H2,1-2H3
InChIKeyNMRNDMJWUGHPIM-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane?
The IUPAC name of (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane (CID 66343398) is (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane.
What is the SMILES notation for (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane?
The canonical SMILES for (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane is CCC1(CC)C(Cl)CC1OC1CCCC1.
What is the InChIKey of (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane?
The InChIKey is NMRNDMJWUGHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO/c1-3-13(4-2)11(14)9-12(13)15-10-7-5-6-8-10/h10-12H,3-9H2,1-2H3.
What are the key properties of (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane?
(3-chloro-2,2-diethylcyclobutyl)oxycyclopentane has a molecular weight of 230.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,2-diethylcyclobutyl)oxycyclopentane is sourced from PubChem (CID 66343398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).