[8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane

C18H35ClO2 — CID 176887330

IUPAC[8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane
SMILESCOCC(COC)(C(C)CCCCCCl)C1CCCCC1
InChIInChI=1S/C18H35ClO2/c1-16(10-6-5-9-13-19)18(14-20-2,15-21-3)17-11-7-4-8-12-17/h16-17H,4-15H2,1-3H3
InChIKeyGFHAPMNSNLSZPZ-UHFFFAOYSA-N
MW318.93 g/mol
LogP5.28
Rot. Bonds11

About [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane

[8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane (PubChem CID 176887330) has the molecular formula C18H35ClO2 and a molecular weight of 318.93 g/mol. Its IUPAC name is [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane.

Molecular Properties

Compound Name[8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane
PubChem CID176887330
Molecular FormulaC18H35ClO2
Molecular Weight318.93 g/mol
Exact Mass318.23
IUPAC Name[8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane
SMILESCOCC(COC)(C(C)CCCCCCl)C1CCCCC1
InChIInChI=1S/C18H35ClO2/c1-16(10-6-5-9-13-19)18(14-20-2,15-21-3)17-11-7-4-8-12-17/h16-17H,4-15H2,1-3H3
InChIKeyGFHAPMNSNLSZPZ-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.93
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[5-Chloro-5,5-difluoro-1-propoxy-2-(propoxymethyl)pentan-2-yl]cyclohexane
CID 176013600
1-Chloro-4-[2-[(4-chlorocyclohexyl)methyl]-3-methoxy-2-(methoxymethyl)propyl]cyclohexane
CID 19985302
1-Chloro-4-methoxy-5-(methoxymethyl)-7-methyl-5-(2-methylpropyl)octane
CID 19985359
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
[1-Methoxy-2-(methoxymethyl)heptan-2-yl]cyclohexane
CID 22598182
[1-Methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane
CID 70926279

Frequently Asked Questions

What is the IUPAC name of [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane?
The IUPAC name of [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane (CID 176887330) is [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane.
What is the SMILES notation for [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane?
The canonical SMILES for [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane is COCC(COC)(C(C)CCCCCCl)C1CCCCC1.
What is the InChIKey of [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane?
The InChIKey is GFHAPMNSNLSZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35ClO2/c1-16(10-6-5-9-13-19)18(14-20-2,15-21-3)17-11-7-4-8-12-17/h16-17H,4-15H2,1-3H3.
What are the key properties of [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane?
[8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane has a molecular weight of 318.93 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-1-methoxy-2-(methoxymethyl)-3-methyloctan-2-yl]cyclohexane is sourced from PubChem (CID 176887330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).