2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

C19H40O6 — CID 175467868

IUPAC2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.CCCCC(CC)(CC)C(=O)O
InChIInChI=1S/C10H20O2.C9H20O4/c1-4-7-8-10(5-2,6-3)9(11)12;1-7(11)5-12-9(3)6-13-8(2)4-10/h4-8H2,1-3H3,(H,11,12);7-11H,4-6H2,1-3H3
InChIKeyKUMBXOFSGBVQOK-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.24
Rot. Bonds13

About 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (PubChem CID 175467868) has the molecular formula C19H40O6 and a molecular weight of 364.52 g/mol. Its IUPAC name is 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
PubChem CID175467868
Molecular FormulaC19H40O6
Molecular Weight364.52 g/mol
Exact Mass364.28
IUPAC Name2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.CCCCC(CC)(CC)C(=O)O
InChIInChI=1S/C10H20O2.C9H20O4/c1-4-7-8-10(5-2,6-3)9(11)12;1-7(11)5-12-9(3)6-13-8(2)4-10/h4-8H2,1-3H3,(H,11,12);7-11H,4-6H2,1-3H3
InChIKeyKUMBXOFSGBVQOK-UHFFFAOYSA-N
XLogP3.24
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid
CID 121268166
CID 87969329
CID 87969329
2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;indigane
CID 175172164
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;terephthalic acid
CID 159288501

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (CID 175467868) is 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is CC(O)COC(C)COC(C)CO.CCCCC(CC)(CC)C(=O)O.
What is the InChIKey of 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The InChIKey is KUMBXOFSGBVQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C9H20O4/c1-4-7-8-10(5-2,6-3)9(11)12;1-7(11)5-12-9(3)6-13-8(2)4-10/h4-8H2,1-3H3,(H,11,12);7-11H,4-6H2,1-3H3.
What are the key properties of 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol has a molecular weight of 364.52 g/mol, XLogP of 3.24, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylhexanoic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 175467868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).