(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane

C14H25ClO — CID 66344748

IUPAC(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane
SMILESCCC1(C)C(Cl)CC1OCC1CCCCC1
InChIInChI=1S/C14H25ClO/c1-3-14(2)12(15)9-13(14)16-10-11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3
InChIKeyAJOFGDHLVKSHEZ-UHFFFAOYSA-N
MW244.81 g/mol
LogP4.38
Rot. Bonds4

About (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane

(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane (PubChem CID 66344748) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane.

Molecular Properties

Compound Name(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane
PubChem CID66344748
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane
SMILESCCC1(C)C(Cl)CC1OCC1CCCCC1
InChIInChI=1S/C14H25ClO/c1-3-14(2)12(15)9-13(14)16-10-11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3
InChIKeyAJOFGDHLVKSHEZ-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 114249124
3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 114249116
3-(cyclohexylmethoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66351784
2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66343647
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
CID 103408040
(3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane
CID 104675791
3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxypropylbenzene
CID 66344311
N,2-diethyl-2-methyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
CID 66350254
3-(2-cyclobutylethoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 106207315
N-cyclopentyloxy-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 83229564
3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
CID 114249127
1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
CID 66345737

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane?
The IUPAC name of (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane (CID 66344748) is (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane.
What is the SMILES notation for (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane?
The canonical SMILES for (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane is CCC1(C)C(Cl)CC1OCC1CCCCC1.
What is the InChIKey of (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane?
The InChIKey is AJOFGDHLVKSHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO/c1-3-14(2)12(15)9-13(14)16-10-11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3.
What are the key properties of (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane?
(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane has a molecular weight of 244.81 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane is sourced from PubChem (CID 66344748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).