1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane

C11H19ClO2 — CID 66345792

IUPAC1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane
SMILESCOC1CCCC(OC2CC(Cl)C2)C1
InChIInChI=1S/C11H19ClO2/c1-13-9-3-2-4-10(7-9)14-11-5-8(12)6-11/h8-11H,2-7H2,1H3
InChIKeyKZDCFVKOJWCVCA-UHFFFAOYSA-N
MW218.72 g/mol
LogP2.73
Rot. Bonds3

About 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane

1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane (PubChem CID 66345792) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane.

Molecular Properties

Compound Name1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane
PubChem CID66345792
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane
SMILESCOC1CCCC(OC2CC(Cl)C2)C1
InChIInChI=1S/C11H19ClO2/c1-13-9-3-2-4-10(7-9)14-11-5-8(12)6-11/h8-11H,2-7H2,1H3
InChIKeyKZDCFVKOJWCVCA-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-methoxycyclobutane
CID 66345507
3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 66351376
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
3-(3-methoxycyclohexyl)oxy-2,2-dimethylcyclobutan-1-ol
CID 66344596
trans-(1S,3S)-3-methoxycyclohexane-1-thiol
CID 146570954
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
(3-methoxycyclohexyl) methanesulfonate
CID 104819681
3-(3-methoxycyclohexyl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930175
1,3,5-trimethoxycyclohexane
CID 547415

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane?
The IUPAC name of 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane (CID 66345792) is 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane.
What is the SMILES notation for 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane?
The canonical SMILES for 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane is COC1CCCC(OC2CC(Cl)C2)C1.
What is the InChIKey of 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane?
The InChIKey is KZDCFVKOJWCVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-13-9-3-2-4-10(7-9)14-11-5-8(12)6-11/h8-11H,2-7H2,1H3.
What are the key properties of 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane?
1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane has a molecular weight of 218.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclobutyl)oxy-3-methoxycyclohexane is sourced from PubChem (CID 66345792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).