2,4-diethylpentane-1,5-diol;hexane-1,6-diol

C15H34O4 — CID 139343033

IUPAC2,4-diethylpentane-1,5-diol;hexane-1,6-diol
SMILESCCC(CO)CC(CC)CO.OCCCCCCO
InChIInChI=1S/C9H20O2.C6H14O2/c1-3-8(6-10)5-9(4-2)7-11;7-5-3-1-2-4-6-8/h8-11H,3-7H2,1-2H3;7-8H,1-6H2
InChIKeyDPRZNNNBPSDCEG-UHFFFAOYSA-N
MW278.43 g/mol
LogP1.94
Rot. Bonds11

About 2,4-diethylpentane-1,5-diol;hexane-1,6-diol

2,4-diethylpentane-1,5-diol;hexane-1,6-diol (PubChem CID 139343033) has the molecular formula C15H34O4 and a molecular weight of 278.43 g/mol. Its IUPAC name is 2,4-diethylpentane-1,5-diol;hexane-1,6-diol.

Molecular Properties

Compound Name2,4-diethylpentane-1,5-diol;hexane-1,6-diol
PubChem CID139343033
Molecular FormulaC15H34O4
Molecular Weight278.43 g/mol
Exact Mass278.25
IUPAC Name2,4-diethylpentane-1,5-diol;hexane-1,6-diol
SMILESCCC(CO)CC(CC)CO.OCCCCCCO
InChIInChI=1S/C9H20O2.C6H14O2/c1-3-8(6-10)5-9(4-2)7-11;7-5-3-1-2-4-6-8/h8-11H,3-7H2,1-2H3;7-8H,1-6H2
InChIKeyDPRZNNNBPSDCEG-UHFFFAOYSA-N
XLogP1.94
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(3R)-3-ethylhexane-1,6-diol
CID 118889856
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hexakis(dimethylazanide);2-ethylhexan-1-ol;hexan-1-ol;bis(titanium(3+))
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3,6-diethylnonane-1,9-diol
CID 19787583
acetic acid;2-ethylhexane-1,6-diol
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8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
(2S)-2-propylheptane-1,7-diol
CID 118890038
18-ethylhenicosan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2,4-diethylpentane-1,5-diol;hexane-1,6-diol?
The IUPAC name of 2,4-diethylpentane-1,5-diol;hexane-1,6-diol (CID 139343033) is 2,4-diethylpentane-1,5-diol;hexane-1,6-diol.
What is the SMILES notation for 2,4-diethylpentane-1,5-diol;hexane-1,6-diol?
The canonical SMILES for 2,4-diethylpentane-1,5-diol;hexane-1,6-diol is CCC(CO)CC(CC)CO.OCCCCCCO.
What is the InChIKey of 2,4-diethylpentane-1,5-diol;hexane-1,6-diol?
The InChIKey is DPRZNNNBPSDCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.C6H14O2/c1-3-8(6-10)5-9(4-2)7-11;7-5-3-1-2-4-6-8/h8-11H,3-7H2,1-2H3;7-8H,1-6H2.
What are the key properties of 2,4-diethylpentane-1,5-diol;hexane-1,6-diol?
2,4-diethylpentane-1,5-diol;hexane-1,6-diol has a molecular weight of 278.43 g/mol, XLogP of 1.94, 11 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;hexane-1,6-diol is sourced from PubChem (CID 139343033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).