2-(chloromethyl)-2-cyclohexyloxane

C12H21ClO — CID 126987668

IUPAC2-(chloromethyl)-2-cyclohexyloxane
SMILESClCC1(C2CCCCC2)CCCCO1
InChIInChI=1S/C12H21ClO/c13-10-12(8-4-5-9-14-12)11-6-2-1-3-7-11/h11H,1-10H2
InChIKeyAZMVSPFOXQGENR-UHFFFAOYSA-N
MW216.75 g/mol
LogP3.74
Rot. Bonds2

About 2-(chloromethyl)-2-cyclohexyloxane

2-(chloromethyl)-2-cyclohexyloxane (PubChem CID 126987668) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 2-(chloromethyl)-2-cyclohexyloxane.

Molecular Properties

Compound Name2-(chloromethyl)-2-cyclohexyloxane
PubChem CID126987668
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name2-(chloromethyl)-2-cyclohexyloxane
SMILESClCC1(C2CCCCC2)CCCCO1
InChIInChI=1S/C12H21ClO/c13-10-12(8-4-5-9-14-12)11-6-2-1-3-7-11/h11H,1-10H2
InChIKeyAZMVSPFOXQGENR-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 53.74
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

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CID 130624071
(2-cyclohexyloxolan-2-yl)methanol
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2-(chloromethyl)-2-cyclobutyloxirane
CID 576261
1-(2-cyclobutyloxolan-2-yl)-N-methylmethanamine
CID 130609933
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
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[1-(chloromethyl)cyclobutyl]cycloheptane
CID 82946357
1,1-di(cyclooctyl)cyclooctane
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2-(chloromethyl)-2-methyl-1,3-dioxepane
CID 55303029
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
4-cyclohexyl-4-methyloxane
CID 58667675
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol
CID 173416726

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-cyclohexyloxane?
The IUPAC name of 2-(chloromethyl)-2-cyclohexyloxane (CID 126987668) is 2-(chloromethyl)-2-cyclohexyloxane.
What is the SMILES notation for 2-(chloromethyl)-2-cyclohexyloxane?
The canonical SMILES for 2-(chloromethyl)-2-cyclohexyloxane is ClCC1(C2CCCCC2)CCCCO1.
What is the InChIKey of 2-(chloromethyl)-2-cyclohexyloxane?
The InChIKey is AZMVSPFOXQGENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c13-10-12(8-4-5-9-14-12)11-6-2-1-3-7-11/h11H,1-10H2.
What are the key properties of 2-(chloromethyl)-2-cyclohexyloxane?
2-(chloromethyl)-2-cyclohexyloxane has a molecular weight of 216.75 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-cyclohexyloxane is sourced from PubChem (CID 126987668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).