chloromethoxycyclohexane

C7H13ClO — CID 11309592

IUPACchloromethoxycyclohexane
SMILESClCOC1CCCCC1
InChIInChI=1S/C7H13ClO/c8-6-9-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyGYCLGFVWNVHUPA-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.53
Rot. Bonds2

About chloromethoxycyclohexane

chloromethoxycyclohexane (PubChem CID 11309592) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is chloromethoxycyclohexane.

Molecular Properties

Compound Namechloromethoxycyclohexane
PubChem CID11309592
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Namechloromethoxycyclohexane
SMILESClCOC1CCCCC1
InChIInChI=1S/C7H13ClO/c8-6-9-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyGYCLGFVWNVHUPA-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 chloromethoxycyclohexane?
The IUPAC name of chloromethoxycyclohexane (CID 11309592) is chloromethoxycyclohexane.
What is the SMILES notation for chloromethoxycyclohexane?
The canonical SMILES for chloromethoxycyclohexane is ClCOC1CCCCC1.
What is the InChIKey of chloromethoxycyclohexane?
The InChIKey is GYCLGFVWNVHUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c8-6-9-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of chloromethoxycyclohexane?
chloromethoxycyclohexane has a molecular weight of 148.63 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethoxycyclohexane is sourced from PubChem (CID 11309592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).