[1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane

C17H34O2 — CID 70926279

IUPAC[1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane
SMILESCCCCCCC(COC)(COC)C1CCCCC1
InChIInChI=1S/C17H34O2/c1-4-5-6-10-13-17(14-18-2,15-19-3)16-11-8-7-9-12-16/h16H,4-15H2,1-3H3
InChIKeyBTOBVWQVDCXWTQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.82
Rot. Bonds10

About [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane

[1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane (PubChem CID 70926279) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane.

Molecular Properties

Compound Name[1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane
PubChem CID70926279
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name[1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane
SMILESCCCCCCC(COC)(COC)C1CCCCC1
InChIInChI=1S/C17H34O2/c1-4-5-6-10-13-17(14-18-2,15-19-3)16-11-8-7-9-12-16/h16H,4-15H2,1-3H3
InChIKeyBTOBVWQVDCXWTQ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane?
The IUPAC name of [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane (CID 70926279) is [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane.
What is the SMILES notation for [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane?
The canonical SMILES for [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane is CCCCCCC(COC)(COC)C1CCCCC1.
What is the InChIKey of [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane?
The InChIKey is BTOBVWQVDCXWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-5-6-10-13-17(14-18-2,15-19-3)16-11-8-7-9-12-16/h16H,4-15H2,1-3H3.
What are the key properties of [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane?
[1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane has a molecular weight of 270.46 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-2-(methoxymethyl)octan-2-yl]cyclohexane is sourced from PubChem (CID 70926279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).