1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane

C15H29ClO2 — CID 19985380

IUPAC1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane
SMILESCOCC(COC)(CC(C)C)C1CCC(Cl)CC1
InChIInChI=1S/C15H29ClO2/c1-12(2)9-15(10-17-3,11-18-4)13-5-7-14(16)8-6-13/h12-14H,5-11H2,1-4H3
InChIKeyYAITXWMWRXHHHD-UHFFFAOYSA-N
MW276.85 g/mol
LogP4.11
Rot. Bonds7

About 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane

1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane (PubChem CID 19985380) has the molecular formula C15H29ClO2 and a molecular weight of 276.85 g/mol. Its IUPAC name is 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane
PubChem CID19985380
Molecular FormulaC15H29ClO2
Molecular Weight276.85 g/mol
Exact Mass276.19
IUPAC Name1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane
SMILESCOCC(COC)(CC(C)C)C1CCC(Cl)CC1
InChIInChI=1S/C15H29ClO2/c1-12(2)9-15(10-17-3,11-18-4)13-5-7-14(16)8-6-13/h12-14H,5-11H2,1-4H3
InChIKeyYAITXWMWRXHHHD-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane?
The IUPAC name of 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane (CID 19985380) is 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane.
What is the SMILES notation for 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane?
The canonical SMILES for 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane is COCC(COC)(CC(C)C)C1CCC(Cl)CC1.
What is the InChIKey of 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane?
The InChIKey is YAITXWMWRXHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClO2/c1-12(2)9-15(10-17-3,11-18-4)13-5-7-14(16)8-6-13/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane?
1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane has a molecular weight of 276.85 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane is sourced from PubChem (CID 19985380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).