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

C17H28O2 — CID 100977400

IUPAC[(2S)-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-/m1/s1
InChIKeyYZTJUTFSWQLBGN-BZSJEYESSA-N
MW264.41 g/mol
LogP4.29
Rot. Bonds8

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

[(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene (PubChem CID 100977400) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene.

Molecular Properties

Compound Name[(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene
PubChem CID100977400
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name[(2S)-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-/m1/s1
InChIKeyYZTJUTFSWQLBGN-BZSJEYESSA-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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Related Compounds

(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
(2S,3S)-3-benzylpentan-2-amine
CID 93427085
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene
CID 169006233
lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene
CID 10828933
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
4-benzyl-2-methylhexan-3-amine
CID 79299139
2-(methoxymethoxy)propylbenzene
CID 11367357
4-benzylhexan-3-amine
CID 79307662

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene?
The IUPAC name of [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene (CID 100977400) is [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene.
What is the SMILES notation for [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene?
The canonical SMILES for [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene is CCC(C)[C@@H](COC(C)(C)OC)Cc1ccccc1.
What is the InChIKey of [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene?
The InChIKey is YZTJUTFSWQLBGN-BZSJEYESSA-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-/m1/s1.
What are the key properties of [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene?
[(2S)-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 [(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene is sourced from PubChem (CID 100977400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).