[(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene

C17H28O2 — CID 10563984

IUPAC[(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene
SMILESCCC(C)[C@H](COC(C)(C)OC)Cc1ccccc1
InChIInChI=1S/C17H28O2/c1-6-14(2)16(13-19-17(3,4)18-5)12-15-10-8-7-9-11-15/h7-11,14,16H,6,12-13H2,1-5H3/t14?,16-/m0/s1
InChIKeyYZTJUTFSWQLBGN-WMCAAGNKSA-N
MW264.41 g/mol
LogP4.29
Rot. Bonds8

About [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene

[(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene (PubChem CID 10563984) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene.

Molecular Properties

Compound Name[(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene
PubChem CID10563984
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name[(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene
SMILESCCC(C)[C@H](COC(C)(C)OC)Cc1ccccc1
InChIInChI=1S/C17H28O2/c1-6-14(2)16(13-19-17(3,4)18-5)12-15-10-8-7-9-11-15/h7-11,14,16H,6,12-13H2,1-5H3/t14?,16-/m0/s1
InChIKeyYZTJUTFSWQLBGN-WMCAAGNKSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene?
The IUPAC name of [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene (CID 10563984) is [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene.
What is the SMILES notation for [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene?
The canonical SMILES for [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene is CCC(C)[C@H](COC(C)(C)OC)Cc1ccccc1.
What is the InChIKey of [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene?
The InChIKey is YZTJUTFSWQLBGN-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-14(2)16(13-19-17(3,4)18-5)12-15-10-8-7-9-11-15/h7-11,14,16H,6,12-13H2,1-5H3/t14?,16-/m0/s1.
What are the key properties of [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene?
[(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene has a molecular weight of 264.41 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene is sourced from PubChem (CID 10563984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).