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

C17H34O2 — CID 174162243

IUPAC1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane
SMILESCOCC(CCC(C)C)(COC)C1CCCC(C)C1
InChIInChI=1S/C17H34O2/c1-14(2)9-10-17(12-18-4,13-19-5)16-8-6-7-15(3)11-16/h14-16H,6-13H2,1-5H3
InChIKeyNZRZKRUVIGEJBI-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.53
Rot. Bonds8

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

1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane (PubChem CID 174162243) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane.

Molecular Properties

Compound Name1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane
PubChem CID174162243
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane
SMILESCOCC(CCC(C)C)(COC)C1CCCC(C)C1
InChIInChI=1S/C17H34O2/c1-14(2)9-10-17(12-18-4,13-19-5)16-8-6-7-15(3)11-16/h14-16H,6-13H2,1-5H3
InChIKeyNZRZKRUVIGEJBI-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.53
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-methylcyclohexane?
The IUPAC name of 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane (CID 174162243) is 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane.
What is the SMILES notation for 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane?
The canonical SMILES for 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane is COCC(CCC(C)C)(COC)C1CCCC(C)C1.
What is the InChIKey of 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane?
The InChIKey is NZRZKRUVIGEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-14(2)9-10-17(12-18-4,13-19-5)16-8-6-7-15(3)11-16/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane?
1-[1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]-3-methylcyclohexane has a molecular weight of 270.46 g/mol, XLogP of 4.53, 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-methylcyclohexane is sourced from PubChem (CID 174162243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).