2-dodecylhexadecan-1-ol

C28H58O — CID 3018340

IUPAC2-dodecylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC
InChIInChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
InChIKeyDEMBLPGWNXUBIQ-UHFFFAOYSA-N
MW410.77 g/mol
LogP10.00
Rot. Bonds25

About 2-dodecylhexadecan-1-ol

2-dodecylhexadecan-1-ol (PubChem CID 3018340) has the molecular formula C28H58O and a molecular weight of 410.77 g/mol. Its IUPAC name is 2-dodecylhexadecan-1-ol.

Molecular Properties

Compound Name2-dodecylhexadecan-1-ol
PubChem CID3018340
Molecular FormulaC28H58O
Molecular Weight410.77 g/mol
Exact Mass410.45
IUPAC Name2-dodecylhexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC
InChIInChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
InChIKeyDEMBLPGWNXUBIQ-UHFFFAOYSA-N
XLogP10.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.77
LogP ≤ 510.00
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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Frequently Asked Questions

What is the IUPAC name of 2-dodecylhexadecan-1-ol?
The IUPAC name of 2-dodecylhexadecan-1-ol (CID 3018340) is 2-dodecylhexadecan-1-ol.
What is the SMILES notation for 2-dodecylhexadecan-1-ol?
The canonical SMILES for 2-dodecylhexadecan-1-ol is CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC.
What is the InChIKey of 2-dodecylhexadecan-1-ol?
The InChIKey is DEMBLPGWNXUBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3.
What are the key properties of 2-dodecylhexadecan-1-ol?
2-dodecylhexadecan-1-ol has a molecular weight of 410.77 g/mol, XLogP of 10.00, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylhexadecan-1-ol is sourced from PubChem (CID 3018340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).