[5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane

C14H26Cl2O2 — CID 174162334

IUPAC[5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
SMILESCOCC(CCC(Cl)Cl)(COC)C1CCCCC1
InChIInChI=1S/C14H26Cl2O2/c1-17-10-14(11-18-2,9-8-13(15)16)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyGQCKRRXDPWZJGS-UHFFFAOYSA-N
MW297.27 g/mol
LogP4.43
Rot. Bonds8

About [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane

[5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane (PubChem CID 174162334) has the molecular formula C14H26Cl2O2 and a molecular weight of 297.27 g/mol. Its IUPAC name is [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane.

Molecular Properties

Compound Name[5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
PubChem CID174162334
Molecular FormulaC14H26Cl2O2
Molecular Weight297.27 g/mol
Exact Mass296.13
IUPAC Name[5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
SMILESCOCC(CCC(Cl)Cl)(COC)C1CCCCC1
InChIInChI=1S/C14H26Cl2O2/c1-17-10-14(11-18-2,9-8-13(15)16)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyGQCKRRXDPWZJGS-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 54.43
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

[5,5-Dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
CID 174162330
1-[5,5-Dichloro-1-ethoxy-2-(ethoxymethyl)-5-fluoropentan-2-yl]-4-methylcyclohexane
CID 176205850
[5,5-Dichloro-1-ethoxy-2-(ethoxymethyl)-5-fluoropentan-2-yl]cyclohexane
CID 176205938
[5,5-Dichloro-5-fluoro-1-methoxy-2-(2-methylpropoxymethyl)pentan-2-yl]cyclohexane
CID 176205955
1-Chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane
CID 19985302
1-Chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane
CID 19985374
1-Chloro-4-[1-ethoxy-2-(ethoxymethyl)-4-methylpentan-2-yl]cyclohexane
CID 19985377
5-Chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane
CID 19985378
1-Chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane
CID 19985380
(2-Chloro-1,3-dimethoxypropan-2-yl)cyclohexane
CID 19985384
1-Chloro-4-[2-(4-chlorocyclohexyl)-1,3-dimethoxypropan-2-yl]cyclohexane
CID 19985403
1-[1-Butoxy-2-(butoxymethyl)-4-methylpentan-2-yl]-4-chlorocyclohexane
CID 19985411

Frequently Asked Questions

What is the IUPAC name of [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The IUPAC name of [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane (CID 174162334) is [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane.
What is the SMILES notation for [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The canonical SMILES for [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane is COCC(CCC(Cl)Cl)(COC)C1CCCCC1.
What is the InChIKey of [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The InChIKey is GQCKRRXDPWZJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Cl2O2/c1-17-10-14(11-18-2,9-8-13(15)16)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3.
What are the key properties of [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
[5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane has a molecular weight of 297.27 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane is sourced from PubChem (CID 174162334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).