2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol

C11H24O4 — CID 142027895

IUPAC2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol
SMILESC[C@H](CCCOC(C)(C)O)OC(C)(C)O
InChIInChI=1S/C11H24O4/c1-9(15-11(4,5)13)7-6-8-14-10(2,3)12/h9,12-13H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyJKBHKOPMBRYZCO-SECBINFHSA-N
MW220.31 g/mol
LogP1.65
Rot. Bonds7

About 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol

2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol (PubChem CID 142027895) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol.

Molecular Properties

Compound Name2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol
PubChem CID142027895
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol
SMILESC[C@H](CCCOC(C)(C)O)OC(C)(C)O
InChIInChI=1S/C11H24O4/c1-9(15-11(4,5)13)7-6-8-14-10(2,3)12/h9,12-13H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyJKBHKOPMBRYZCO-SECBINFHSA-N
XLogP1.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-5-(2-hydroxypropan-2-yloxy)pentanoate
CID 145304985
azane;2-dodecoxypropan-2-ol
CID 87960511
2,5-dimethyl-2-(4-methylpentoxy)hexanoic acid
CID 114994396
3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol
CID 126593416
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
2-cyclopropyl-2-(4-methylpentoxy)propanoic acid
CID 114988128
3-[(2-methylpropan-2-yl)oxy]-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane
CID 155769092
4-(3-methoxy-3-methylbutoxy)pentan-1-amine
CID 106667811
4-amino-2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one
CID 176774620
2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
CID 118327794
1-tert-butylperoxy-4-methylpentane
CID 154132694

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol?
The IUPAC name of 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol (CID 142027895) is 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol.
What is the SMILES notation for 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol?
The canonical SMILES for 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol is C[C@H](CCCOC(C)(C)O)OC(C)(C)O.
What is the InChIKey of 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol?
The InChIKey is JKBHKOPMBRYZCO-SECBINFHSA-N. The full InChI is InChI=1S/C11H24O4/c1-9(15-11(4,5)13)7-6-8-14-10(2,3)12/h9,12-13H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol?
2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol is sourced from PubChem (CID 142027895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).