2,4-diethylpentane-1,5-diol;bis(pentanoic acid)

C19H40O6 — CID 175160566

IUPAC2,4-diethylpentane-1,5-diol;bis(pentanoic acid)
SMILESCCC(CO)CC(CC)CO.CCCCC(=O)O.CCCCC(=O)O
InChIInChI=1S/C9H20O2.2C5H10O2/c1-3-8(6-10)5-9(4-2)7-11;2*1-2-3-4-5(6)7/h8-11H,3-7H2,1-2H3;2*2-4H2,1H3,(H,6,7)
InChIKeyMSAIGACSQDPZBJ-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.94
Rot. Bonds12

About 2,4-diethylpentane-1,5-diol;bis(pentanoic acid)

2,4-diethylpentane-1,5-diol;bis(pentanoic acid) (PubChem CID 175160566) has the molecular formula C19H40O6 and a molecular weight of 364.52 g/mol. Its IUPAC name is 2,4-diethylpentane-1,5-diol;bis(pentanoic acid).

Molecular Properties

Compound Name2,4-diethylpentane-1,5-diol;bis(pentanoic acid)
PubChem CID175160566
Molecular FormulaC19H40O6
Molecular Weight364.52 g/mol
Exact Mass364.28
IUPAC Name2,4-diethylpentane-1,5-diol;bis(pentanoic acid)
SMILESCCC(CO)CC(CC)CO.CCCCC(=O)O.CCCCC(=O)O
InChIInChI=1S/C9H20O2.2C5H10O2/c1-3-8(6-10)5-9(4-2)7-11;2*1-2-3-4-5(6)7/h8-11H,3-7H2,1-2H3;2*2-4H2,1H3,(H,6,7)
InChIKeyMSAIGACSQDPZBJ-UHFFFAOYSA-N
XLogP3.94
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

decanedioic acid;bis(2-ethylhexan-1-ol)
CID 161114783
butanedioic acid;2-ethylhexan-1-ol
CID 159770263
pentanoic acid;propan-1-ol
CID 87061359
pentanoic acid;stannane
CID 173249748
pentanoic acid;silver
CID 87285302
CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
ethane;pentanoic acid
CID 142198531
2-heptylundecan-1-ol;hexadecanoic acid
CID 175092135
(4R)-4-(hydroxymethyl)hexanoic acid
CID 131845263
hypochlorous acid;pentanoic acid
CID 157152267
icosane;pentanoic acid
CID 159151393

Frequently Asked Questions

What is the IUPAC name of 2,4-diethylpentane-1,5-diol;bis(pentanoic acid)?
The IUPAC name of 2,4-diethylpentane-1,5-diol;bis(pentanoic acid) (CID 175160566) is 2,4-diethylpentane-1,5-diol;bis(pentanoic acid).
What is the SMILES notation for 2,4-diethylpentane-1,5-diol;bis(pentanoic acid)?
The canonical SMILES for 2,4-diethylpentane-1,5-diol;bis(pentanoic acid) is CCC(CO)CC(CC)CO.CCCCC(=O)O.CCCCC(=O)O.
What is the InChIKey of 2,4-diethylpentane-1,5-diol;bis(pentanoic acid)?
The InChIKey is MSAIGACSQDPZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.2C5H10O2/c1-3-8(6-10)5-9(4-2)7-11;2*1-2-3-4-5(6)7/h8-11H,3-7H2,1-2H3;2*2-4H2,1H3,(H,6,7).
What are the key properties of 2,4-diethylpentane-1,5-diol;bis(pentanoic acid)?
2,4-diethylpentane-1,5-diol;bis(pentanoic acid) has a molecular weight of 364.52 g/mol, XLogP of 3.94, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethylpentane-1,5-diol;bis(pentanoic acid) is sourced from PubChem (CID 175160566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).