2-hexyloctan-1-ol;2-pentylheptan-1-ol

C26H56O2 — CID 175595463

IUPAC2-hexyloctan-1-ol;2-pentylheptan-1-ol
SMILESCCCCCC(CO)CCCCC.CCCCCCC(CO)CCCCCC
InChIInChI=1S/C14H30O.C12H26O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2;1-3-5-7-9-12(11-13)10-8-6-4-2/h14-15H,3-13H2,1-2H3;12-13H,3-11H2,1-2H3
InChIKeyHOOLHCZQYHZMQF-UHFFFAOYSA-N
MW400.73 g/mol
LogP8.29
Rot. Bonds20

About 2-hexyloctan-1-ol;2-pentylheptan-1-ol

2-hexyloctan-1-ol;2-pentylheptan-1-ol (PubChem CID 175595463) has the molecular formula C26H56O2 and a molecular weight of 400.73 g/mol. Its IUPAC name is 2-hexyloctan-1-ol;2-pentylheptan-1-ol.

Molecular Properties

Compound Name2-hexyloctan-1-ol;2-pentylheptan-1-ol
PubChem CID175595463
Molecular FormulaC26H56O2
Molecular Weight400.73 g/mol
Exact Mass400.43
IUPAC Name2-hexyloctan-1-ol;2-pentylheptan-1-ol
SMILESCCCCCC(CO)CCCCC.CCCCCCC(CO)CCCCCC
InChIInChI=1S/C14H30O.C12H26O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2;1-3-5-7-9-12(11-13)10-8-6-4-2/h14-15H,3-13H2,1-2H3;12-13H,3-11H2,1-2H3
InChIKeyHOOLHCZQYHZMQF-UHFFFAOYSA-N
XLogP8.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.73
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-pentyltridecan-1-ol
CID 19896300
2-nonylundecan-1-ol
CID 14397092
ethanol;2-heptylnonan-1-ol
CID 122482877
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
2-propyldodecan-1-ol
CID 14438908
(2S)-2-propyldecan-1-ol
CID 10176571
2-propylheptadecan-1-ol
CID 137441509
2-pentadecylpropane-1,3-diol
CID 91351654
2-decylhexane-1,6-diol
CID 141462709

Frequently Asked Questions

What is the IUPAC name of 2-hexyloctan-1-ol;2-pentylheptan-1-ol?
The IUPAC name of 2-hexyloctan-1-ol;2-pentylheptan-1-ol (CID 175595463) is 2-hexyloctan-1-ol;2-pentylheptan-1-ol.
What is the SMILES notation for 2-hexyloctan-1-ol;2-pentylheptan-1-ol?
The canonical SMILES for 2-hexyloctan-1-ol;2-pentylheptan-1-ol is CCCCCC(CO)CCCCC.CCCCCCC(CO)CCCCCC.
What is the InChIKey of 2-hexyloctan-1-ol;2-pentylheptan-1-ol?
The InChIKey is HOOLHCZQYHZMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.C12H26O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2;1-3-5-7-9-12(11-13)10-8-6-4-2/h14-15H,3-13H2,1-2H3;12-13H,3-11H2,1-2H3.
What are the key properties of 2-hexyloctan-1-ol;2-pentylheptan-1-ol?
2-hexyloctan-1-ol;2-pentylheptan-1-ol has a molecular weight of 400.73 g/mol, XLogP of 8.29, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyloctan-1-ol;2-pentylheptan-1-ol is sourced from PubChem (CID 175595463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).