2-tridecylheptadecan-1-ol

C30H62O — CID 22598247

IUPAC2-tridecylheptadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCC
InChIInChI=1S/C30H62O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-30(29-31)27-25-23-21-19-17-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3
InChIKeyXYVXFHBIYUGIFM-UHFFFAOYSA-N
MW438.83 g/mol
LogP10.78
Rot. Bonds27

About 2-tridecylheptadecan-1-ol

2-tridecylheptadecan-1-ol (PubChem CID 22598247) has the molecular formula C30H62O and a molecular weight of 438.83 g/mol. Its IUPAC name is 2-tridecylheptadecan-1-ol.

Molecular Properties

Compound Name2-tridecylheptadecan-1-ol
PubChem CID22598247
Molecular FormulaC30H62O
Molecular Weight438.83 g/mol
Exact Mass438.48
IUPAC Name2-tridecylheptadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCC
InChIInChI=1S/C30H62O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-30(29-31)27-25-23-21-19-17-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3
InChIKeyXYVXFHBIYUGIFM-UHFFFAOYSA-N
XLogP10.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 510.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-nonylundecan-1-ol
CID 14397092
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
ethanol;2-heptylnonan-1-ol
CID 122482877
(2S)-2-propyldecan-1-ol
CID 10176571
2-propyldodecan-1-ol
CID 14438908
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-tridecylheptadecan-1-ol?
The IUPAC name of 2-tridecylheptadecan-1-ol (CID 22598247) is 2-tridecylheptadecan-1-ol.
What is the SMILES notation for 2-tridecylheptadecan-1-ol?
The canonical SMILES for 2-tridecylheptadecan-1-ol is CCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCC.
What is the InChIKey of 2-tridecylheptadecan-1-ol?
The InChIKey is XYVXFHBIYUGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-30(29-31)27-25-23-21-19-17-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3.
What are the key properties of 2-tridecylheptadecan-1-ol?
2-tridecylheptadecan-1-ol has a molecular weight of 438.83 g/mol, XLogP of 10.78, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecylheptadecan-1-ol is sourced from PubChem (CID 22598247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).