1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane

C18H36O2 — CID 170712688

IUPAC1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane
SMILESCOCC(CCC(C)C)(COC)C1CC(C)CC(C)C1
InChIInChI=1S/C18H36O2/c1-14(2)7-8-18(12-19-5,13-20-6)17-10-15(3)9-16(4)11-17/h14-17H,7-13H2,1-6H3
InChIKeyDYWCBSOFYZIQMH-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.77
Rot. Bonds8

About 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane

1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane (PubChem CID 170712688) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane.

Molecular Properties

Compound Name1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane
PubChem CID170712688
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane
SMILESCOCC(CCC(C)C)(COC)C1CC(C)CC(C)C1
InChIInChI=1S/C18H36O2/c1-14(2)7-8-18(12-19-5,13-20-6)17-10-15(3)9-16(4)11-17/h14-17H,7-13H2,1-6H3
InChIKeyDYWCBSOFYZIQMH-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane?
The IUPAC name of 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane (CID 170712688) is 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane.
What is the SMILES notation for 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane?
The canonical SMILES for 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane is COCC(CCC(C)C)(COC)C1CC(C)CC(C)C1.
What is the InChIKey of 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane?
The InChIKey is DYWCBSOFYZIQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-14(2)7-8-18(12-19-5,13-20-6)17-10-15(3)9-16(4)11-17/h14-17H,7-13H2,1-6H3.
What are the key properties of 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane?
1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane has a molecular weight of 284.48 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3,5-dimethylcyclohexane is sourced from PubChem (CID 170712688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).