4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane

C14H25ClO2 — CID 114342826

IUPAC4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane
SMILESCCOC1C(Cl)CC1OC1CCC(C)(C)CC1
InChIInChI=1S/C14H25ClO2/c1-4-16-13-11(15)9-12(13)17-10-5-7-14(2,3)8-6-10/h10-13H,4-9H2,1-3H3
InChIKeyGWVPKYIPXMVHPI-UHFFFAOYSA-N
MW260.80 g/mol
LogP3.76
Rot. Bonds4

About 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane

4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane (PubChem CID 114342826) has the molecular formula C14H25ClO2 and a molecular weight of 260.80 g/mol. Its IUPAC name is 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane
PubChem CID114342826
Molecular FormulaC14H25ClO2
Molecular Weight260.80 g/mol
Exact Mass260.15
IUPAC Name4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane
SMILESCCOC1C(Cl)CC1OC1CCC(C)(C)CC1
InChIInChI=1S/C14H25ClO2/c1-4-16-13-11(15)9-12(13)17-10-5-7-14(2,3)8-6-10/h10-13H,4-9H2,1-3H3
InChIKeyGWVPKYIPXMVHPI-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane?
The IUPAC name of 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane (CID 114342826) is 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane.
What is the SMILES notation for 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane?
The canonical SMILES for 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane is CCOC1C(Cl)CC1OC1CCC(C)(C)CC1.
What is the InChIKey of 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane?
The InChIKey is GWVPKYIPXMVHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO2/c1-4-16-13-11(15)9-12(13)17-10-5-7-14(2,3)8-6-10/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane?
4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane has a molecular weight of 260.80 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane is sourced from PubChem (CID 114342826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).