1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane

C14H25ClO — CID 66346004

IUPAC1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane
SMILESCCC1CCCC(OC2CC(Cl)C2(C)C)C1
InChIInChI=1S/C14H25ClO/c1-4-10-6-5-7-11(8-10)16-13-9-12(15)14(13,2)3/h10-13H,4-9H2,1-3H3
InChIKeyGQDNASRXBXARKI-UHFFFAOYSA-N
MW244.81 g/mol
LogP4.38
Rot. Bonds3

About 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane

1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane (PubChem CID 66346004) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane.

Molecular Properties

Compound Name1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane
PubChem CID66346004
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane
SMILESCCC1CCCC(OC2CC(Cl)C2(C)C)C1
InChIInChI=1S/C14H25ClO/c1-4-10-6-5-7-11(8-10)16-13-9-12(15)14(13,2)3/h10-13H,4-9H2,1-3H3
InChIKeyGQDNASRXBXARKI-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.38
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 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane?
The IUPAC name of 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane (CID 66346004) is 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane.
What is the SMILES notation for 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane?
The canonical SMILES for 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane is CCC1CCCC(OC2CC(Cl)C2(C)C)C1.
What is the InChIKey of 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane?
The InChIKey is GQDNASRXBXARKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO/c1-4-10-6-5-7-11(8-10)16-13-9-12(15)14(13,2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane?
1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane has a molecular weight of 244.81 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,2-dimethylcyclobutyl)oxy-3-ethylcyclohexane is sourced from PubChem (CID 66346004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).