3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane

C14H25ClO2 — CID 104673953

IUPAC3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane
SMILESCOC1C(Cl)CC1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H25ClO2/c1-9-5-10(8-14(2,3)7-9)17-12-6-11(15)13(12)16-4/h9-13H,5-8H2,1-4H3
InChIKeyFFCYAGYRHKNOHQ-UHFFFAOYSA-N
MW260.80 g/mol
LogP3.61
Rot. Bonds3

About 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane

3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane (PubChem CID 104673953) has the molecular formula C14H25ClO2 and a molecular weight of 260.80 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane.

Molecular Properties

Compound Name3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane
PubChem CID104673953
Molecular FormulaC14H25ClO2
Molecular Weight260.80 g/mol
Exact Mass260.15
IUPAC Name3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane
SMILESCOC1C(Cl)CC1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C14H25ClO2/c1-9-5-10(8-14(2,3)7-9)17-12-6-11(15)13(12)16-4/h9-13H,5-8H2,1-4H3
InChIKeyFFCYAGYRHKNOHQ-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.80
LogP ≤ 53.61
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

4-(3-chloro-2-methoxycyclobutyl)oxy-1,1-dimethylcyclohexane
CID 114342820
3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol
CID 66368346
3-(3,3,5-trimethylcyclohexyl)oxyazetidine
CID 62783894
3-(3-chloro-2,2-dimethylcyclobutyl)oxy-1,1,5-trimethylcyclohexane
CID 66345749
3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane
CID 63473870
N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357222
2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357421
ethyl 3-iodo-4-(3,3,5-trimethylcyclohexyl)oxycyclopentane-1-carboxylate
CID 114773343
2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357422
2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one
CID 66366610
2-methoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
CID 62599023
3-[2-(chloromethyl)prop-2-enoxy]-1,1,5-trimethylcyclohexane
CID 103066019

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane?
The IUPAC name of 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane (CID 104673953) is 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane.
What is the SMILES notation for 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane?
The canonical SMILES for 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane is COC1C(Cl)CC1OC1CC(C)CC(C)(C)C1.
What is the InChIKey of 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane?
The InChIKey is FFCYAGYRHKNOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO2/c1-9-5-10(8-14(2,3)7-9)17-12-6-11(15)13(12)16-4/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane?
3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane has a molecular weight of 260.80 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxycyclobutyl)oxy-1,1,5-trimethylcyclohexane is sourced from PubChem (CID 104673953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).